Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMD08RH)

• Drug Name: Acetate Ion Drug Info
• Synonyms: acetate; Acetate Ion; Acetic acid, ion(1-); Acetate ions; 71-50-1; monoacetate; MeCO2 anion; UNII-569DQM74SC; ethanoate; Acetat; 569DQM74SC; Shotgun; Ethanoat; CHEMBL1354; racemic acetate; Azetat; acetyl hydroxide; Acetic acid ion; Acetic cid glacial; TCLP extraction fluid 2; AC1Q1J9D; AC1Q1J2O; CH3-COO(-); AC1L18N9; DTXSID1037694; CTK5D4394; CHEBI:30089; MolPort-006-169-563; QTBSBXVTEAMEQO-UHFFFAOYSA-M; STL282721; CMC_13391; BDBM50159793; AKOS022101130; AN-25008; AN-23801; LS-189936; 1395-EP2380874A2; 1395-EP2380661A2; 1395-EP2316837A1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 175
  ChEBI ID: CHEBI:30089
  CAS Number: CAS 71-50-1
  TTD Drug ID: DMD08RH

Molecule-Related Drug Atlas

Drug(s) Targeting Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Artemisinin	DMOY7W3	Malaria	1F40-1F45	Approved	[3]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[4]
Teriflunomide	DMQ2FKJ	Hyperlipidaemia	5C80	Approved	[5]
Atovaquone	DMY4UMW	Fungal infection	1F29-1F2F	Approved	[6]
Avastin+/-Tarceva	DMA86FL	Non-small-cell lung cancer	2C25.Y	Phase 3	[7]
B-Octylglucoside	DMMO75G	Discovery agent	N.A.	Investigative	[1]
Orotate	DMMB29S	Discovery agent	N.A.	Investigative	[8]
Lauryl Dimethylamine-N-Oxide	DM3W2OE	Discovery agent	N.A.	Investigative	[1]
1,4-Naphthoquinone	DMTCMH7	Discovery agent	N.A.	Investigative	[7]
Dihydroorotate	DM76BGZ	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Matrix metalloproteinase-12 (MMP-12)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[10]
FP-025	DMH1NXO	Asthma	CA23	Phase 1	[11]
PMID29130358-Compound-Figure17(12)	DMML4PA	N. A.	N. A.	Patented	[12]
PMID29130358-Compound-Figure17(10)	DMVA15O	N. A.	N. A.	Patented	[12]
PMID29130358-Compound-Figure17(11)	DMSZA9L	N. A.	N. A.	Patented	[12]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[13]
AZD1236	DML3RSF	Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[14]
V85546	DMLFMSY	Inflammation	1A00-CA43.1	Discontinued in Phase 1	[15]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[16]
[2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid	DM37C25	Discovery agent	N.A.	Investigative	[16]

Drug(s) Targeting Leukotriene A-4 hydrolase (LTA4H)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Bestatin	DM8L9D4	Acute myeloid leukaemia	2A60	Approved	[17]
LYS006	DMI17QR	Ulcerative colitis	DD71	Phase 2	[18]
Acebilustat	DM19UTO	Chronic blistering skin disorder	ME63.3	Phase 1	[19]
DG051	DM3I0GS	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[20]
JNJ-10392980	DMZH0K8	Discovery agent	N.A.	Investigative	[21]
4-(2-amino-1,3-thiazol-4-yl)phenol	DMH5CAQ	Discovery agent	N.A.	Investigative	[22]
2-(4-phenoxyphenoxy)ethanamine	DM7TBUJ	Discovery agent	N.A.	Investigative	[23]
3-(Benzyloxy)Pyridin-2-Amine	DM35VEI	Discovery agent	N.A.	Investigative	[1]
2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine	DMD2QVO	Discovery agent	N.A.	Investigative	[24]
2-[4-(2-Piperidin-1-ylethyl)phenoxy]benzothiazole	DMMYJ3R	Discovery agent	N.A.	Investigative	[21]

Drug(s) Targeting Nitric-oxide synthase endothelial (NOS3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tilarginine acetate	DMZBGI8	Myocardial infarction	BA41-BA43	Phase 3	[25]
L-NAME	DM01SR6	Hypertension	BA00-BA04	Phase 2	[26]
ACCLAIM	DM0FGDO	Angina pectoris	BA40	Phase 2	[27]
VAS-203	DMKU93J	Brain injury	NA07.Z	Phase 2	[28]
MTR105	DMT0K4F	Hypotension	BA20-BA21	Phase 2	[29]
Autologous cell based gene therapy	DMQA1VT	Pulmonary hypertension	BB01	Phase 1	[30]
L-NIL	DM6Y49D	N. A.	N. A.	Terminated	[31]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[22]
2-Propanol, Isopropanol	DML5O0H	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Hydroxyphenylpyruvate dioxygenase (HPD)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nitisinone	DMVS9WQ	Hereditary tyrosinemia type 1	5C50.11	Approved	[32]
BMS-433771	DME20VP	Respiratory syncytial virus infection	1C80	Terminated	[33]
2-(2-Nitro-benzoyl)-cyclohexane-1,3-dione	DMUJQX1	Discovery agent	N.A.	Investigative	[34]
2-(2-Iodo-benzoyl)-cyclohexane-1,3-dione	DMSVHU9	Discovery agent	N.A.	Investigative	[34]
2-(2-Bromo-benzoyl)-cyclohexane-1,3-dione	DM3VH7F	Discovery agent	N.A.	Investigative	[34]
Diketonitrile	DMPKQER	Discovery agent	N.A.	Investigative	[35]
2-(2-Methoxy-benzoyl)-cyclohexane-1,3-dione	DMESMBO	Discovery agent	N.A.	Investigative	[34]
3-Hydroxy-4-phenyl-5H-furan-2-one	DM5QZDL	Discovery agent	N.A.	Investigative	[36]
(4-Hydroxy-phenoxy)-acetic acid	DMRCM5O	Discovery agent	N.A.	Investigative	[36]
2-(2-Chloro-benzoyl)-cyclohexane-1,3-dione	DMG6ABE	Discovery agent	N.A.	Investigative	[34]

Drug(s) Targeting Bacterial Glucosamine-6-phosphate synthase (Bact glmS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Glucose-6-Phosphate	DMKY1L4	N. A.	N. A.	Phase 1	[1]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
2-(N-Morpholino)-Ethanesulfonic Acid	DMZVHSB	Discovery agent	N.A.	Investigative	[1]
Alpha-D-Glucose-6-Phosphate	DMR0EVN	Discovery agent	N.A.	Investigative	[1]
Glutamine Hydroxamate	DMT7K0U	Discovery agent	N.A.	Investigative	[1]
2-Deoxy-2-Amino Glucitol-6-Phosphate	DMBMK4T	Discovery agent	N.A.	Investigative	[1]
Glucosamine 6-Phosphate	DMY590Q	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Mycobacterium Biosynthetic alanine racemase (MycB alr)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cycloserine	DMT1I52	Bacterial infection	1A00-1C4Z	Approved	[1]
Pyridoxamine-5'-Phosphate	DMQ6POC	Discovery agent	N.A.	Investigative	[1]
Lysine Nz-Carboxylic Acid	DMW1YK3	Discovery agent	N.A.	Investigative	[1]
Propionate	DM0O8N6	Discovery agent	N.A.	Investigative	[37]
Pyridoxyl-N,O-Cycloserylamide-5-Monophosphate	DM7AW0X	Discovery agent	N.A.	Investigative	[1]
N-(5'-Phosphopyridoxyl)-D-Alanine	DM3FCAI	Discovery agent	N.A.	Investigative	[1]
Pyridoxyl-Alanine-5-Phosphate	DMUVCWY	Discovery agent	N.A.	Investigative	[1]
Propanoic Acid	DM9TN2W	Discovery agent	N.A.	Investigative	[1]
3-fluorovinylglycine	DMECBLA	Discovery agent	N.A.	Investigative	[38]

Drug(s) Targeting Nitric-oxide synthase brain (NOS1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NXN-188	DMMBAIH	Migraine	8A80	Phase 2	[39]
NXN-462	DMWVBS2	Headache	8A80-8A84	Phase 2	[40]
L-NIL	DM6Y49D	N. A.	N. A.	Terminated	[31]
Alpha-D-Mannose	DMF5DLW	Discovery agent	N.A.	Investigative	[1]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[1]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[22]
Formic Acid	DMNFZC6	Discovery agent	N.A.	Investigative	[1]
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[1]
6-isobutyl-4-methylpyridin-2-amine	DM2XB68	Discovery agent	N.A.	Investigative	[41]
7-Methyl-[1,4]thiazepan-(5E)-ylideneamine	DMUCJA6	Discovery agent	N.A.	Investigative	[42]

Drug(s) Targeting Carbonic anhydrase II (CA-II)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[43]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[44]
Dorzolamide	DMA17D0	Ocular hypertension	9C61.01	Approved	[45]
Chlorothiazide	DMLHESP	Chronic heart failure	BD1Z	Approved	[46]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[22]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[22]
Cyclothiazide	DMJ4AWC	Congestive heart failure	BD10	Approved	[47]
Ethinamate	DMK57GB	Insomnia	7A00-7A0Z	Approved	[48]
Benzthiazide	DMQWZ0H	High blood pressure	BA00	Approved	[49]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[50]

Drug(s) Targeting Pancreatic elastase 1 (CELA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Alpha 1-PI	DMXC1K9	Alpha-1 antitrypsin deficiency	5C5A	Approved	[51]
Erdosteine	DM6QFSV	Bronchitis	CA20	Approved	[52]
Sivelestat	DM6BZCV	Crohn disease	DD70	Phase 3	[53]
Mdl 101,146	DMRSOBG	Inflammation	1A00-CA43.1	Terminated	[1]
WIN-63759	DMRV48P	Emphysema	CA21	Terminated	[54]
SSR-69071	DMWL4MI	Chronic obstructive pulmonary disease	CA22	Terminated	[55]
SYN-1134	DMG2SQM	Cystic fibrosis	CA25	Terminated	[56]
PBI-1101	DMWD1RC	Inflammation	1A00-CA43.1	Terminated	[57]
Grassystatin a	DM1PWX2	Discovery agent	N.A.	Investigative	[58]
Dimethylformamide	DML6O4N	Discovery agent	N.A.	Investigative	[59]

Drug(s) Targeting Superoxide dismutase Cu-Zn (SOD Cu-Zn)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tofersen	DM0AEDT	Amyotrophic lateral sclerosis	8B60.0	Approved	[39]
Coprexa	DMA0WEK	Neurological disorder	6B60	Phase 3	[60]
Tempol	DMUQH78	Spinal cord injury	ND51.2	Phase 2	[61]
Superoxide dismutase	DMSWPA6	Myocardial infarction	BA41-BA43	Phase 2	[62]
Midismase	DMGCRKY	Cerebral infarction	8B11.5Z	Phase 2	[63]
Methoxyestradiol	DMHSL87	N. A.	N. A.	Phase 2	[64]
ATN-224	DMQJ5DV	Solid tumour/cancer	2A00-2F9Z	Phase 2	[60]
PC-SOD	DMUHDX3	Interstitial lung disease	CB0Z	Phase 2	[63]
APN-201	DMV7Q6X	Dermatitis	EA80-EA89	Phase 1/2	[65]
EUK-189	DMY9ZAS	Skin burns	ME65.0	Phase 1	[66]

Drug(s) Targeting Bacterial Deoxyuridine triphosphate nucleotidohydrolase (Bact dut)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2'-deoxyuridylic acid	DMPV1LU	Discovery agent	N.A.	Investigative	[1]
Deoxyuridine-5'-Triphosphate	DMCG5V2	Discovery agent	N.A.	Investigative	[1]
1-[(Z)-4-trityloxy-2-butenyl]uracil	DMIHBFO	Discovery agent	N.A.	Investigative	[67]
2'-deoxyuridine 5'-alpha,beta-imido-diphosphate	DMXV27U	Discovery agent	N.A.	Investigative	[17]
1-[2-(trityloxy)ethoxymethyl]uracil	DM98F0U	Discovery agent	N.A.	Investigative	[67]
1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil	DMHXAMR	Discovery agent	N.A.	Investigative	[67]
Deoxyuridine-5'-Diphosphate	DMIFMDC	Discovery agent	N.A.	Investigative	[17]
1-(3-tritylaminopropyl)uracil	DMZPJM4	Discovery agent	N.A.	Investigative	[67]
2'-Deoxyuridine 5'-Alpha,Beta-Imido-Triphosphate	DMOHABR	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Phospholipase A2 (PLA2G1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[1]
Miltefosine	DMND304	Chronic urticaria		Approved	[68]
Clocortolone	DM9ZMQH	Exanthem		Approved	[69]
Clobetasol	DMUXP52	Rosacea	ED90.0	Approved	[70]
Diflorasone	DMI9PRJ	Exanthem		Approved	[71]
AllerB	DM78DOT	Allergy	4A80-4A85	Phase 2b	[72]
URSOLIC ACID	DM4SOAW	Metabolic syndrome x	5C50-5D2Z	Phase 2	[73]
MANOALIDE	DMB4A8I	Arthritis	FA20	Phase 2	[74]
MRX-4	DMQZWYE	Allergic rhinitis	CA08.0	Phase 2	[75]
MRX-6	DMLVQKF	Contact dermatitis	EK0Z	Phase 2	[76]

Drug(s) Targeting Candida Mannose-6-phosphate isomerase (Candi PMI1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sulfacetamide	DMZ6VEY	Acne vulgaris	ED80	Approved	[77]
Sulfoxone	DMAYX6P	Dermatitis herpetiformis	EB44	Approved	[77]
Formic Acid	DMNFZC6	Discovery agent	N.A.	Investigative	[1]
GNF-PF-5134	DM7850H	Discovery agent	N.A.	Investigative	[78]
GNF-PF-2272	DMONK0F	Discovery agent	N.A.	Investigative	[78]
NSC-66209	DMQ0S4B	Discovery agent	N.A.	Investigative	[78]

Drug(s) Targeting Staphylococcus D-amino acid aminotransferase (Stap-coc dat)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Pyridoxamine-5'-Phosphate	DMQ6POC	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Staphylococcus Beta-lactamase (Stap-coc blaZ)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tazobactam	DM3XNUI	Appendicitis	DB10	Approved	[79]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[80]
CAZ AVI	DMPG4OM	Serious infection	1H0Z	Phase 3	[81]
Enmetazobactam	DMZKTYJ	Urinary tract infection	GC08	Phase 3	[82]
Vaborbactam	DMDCFXJ	Urinary tract infection	GC08	Phase 3	[83]
MK-7655	DMLMV0O	Bacterial infection	1A00-1C4Z	Phase 2	[84]
CXL	DM3JFZ2	Methicillin-resistant staphylococci infection	1A00-1A09	Phase 2	[85]
RASV-Sp	DM4VTX6	Streptococcus infection	1B53	Phase 1	[86]
ME-1071	DMEMQ5J	Bacterial infection	1A00-1C4Z	Phase 1	[87]
OP-0595	DMECVP9	Bacterial infection	1A00-1C4Z	Phase 1	[88]

Drug(s) Targeting Calmodulin (CALM)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Halofantrine	DMOMK1V	Malaria	1F40-1F45	Approved	[89]
Trifluoperazine	DMKBYWI	Anxiety		Approved	[90]
Aprindine	DMBXWU8	Cardiac arrhythmias	BC9Z	Approved	[91]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
MYRISTIC ACID	DMYX0BL	Discovery agent	N.A.	Investigative	[22]
Cacodylate Ion	DMK4XLD	Discovery agent	N.A.	Investigative	[1]
2-Methyl-2-Propanol	DMHM5GJ	Discovery agent	N.A.	Investigative	[1]
N-Trimethyllysine	DMZQXLS	Discovery agent	N.A.	Investigative	[1]
Calmidazolium	DM5ZTJL	Huntington disease	8A01.10	Investigative	[92]

Drug(s) Targeting Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
US9200020, Table 3, Compound 1B	DMEARS2	N. A.	N. A.	Patented	[93]
US9200020, Table 3, Compound 2B	DMXFB5Z	N. A.	N. A.	Patented	[93]
US9200020, Table 3 compound 8	DMCLHX5	N. A.	N. A.	Patented	[93]
Formic Acid	DMNFZC6	Discovery agent	N.A.	Investigative	[1]
Pyrophosphate 2-	DMZQ75M	Discovery agent	N.A.	Investigative	[22]
Guanosine-5'-Monophosphate	DM3SLZK	Discovery agent	N.A.	Investigative	[1]
Inosinic Acid	DMLR86H	Discovery agent	N.A.	Investigative	[1]
Alpha-Phosphoribosylpyrophosphoric Acid	DMT6KI7	Discovery agent	N.A.	Investigative	[22]
Carboxylic PRPP	DMCTUR1	Discovery agent	N.A.	Investigative	[1]
5--Monophosphate-9-Beta-D-Ribofuranosyl Xanthine	DMX0EAK	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting GABA transaminase (ABAT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
L-Alanine	DMZDN4W	Dietary shortage	5B5K	Approved	[94]
Pyridoxal Phosphate	DMO2K0J	Malnutrition	5B50-5B71	Approved	[94]
Pyruvic acid	DM7Q41G	Malnutrition	5B50-5B71	Approved	[94]
Vigabatrin	DMYT0OG	Alcohol dependence	6C40.2	Approved	[95]
Divalproex sodium	DM4RK0G	Seizure disorder	8A6Z	Approved	[94]
CPP-115	DMK9NQI	Tourette syndrome	8A05.00	Phase 2	[96]
K-828-AB	DMJLNZQ	Dementia	6D80-6D86	Phase 2	[97]
CPP -15	DMQCHU3	Infantile spasm	8A62.0	Phase 1	[96]
T83193	DMHO29Y	Discovery agent	N.A.	Patented	[98]
4-hydroxybenzaldehyde	DM471P5	Discovery agent	N.A.	Patented	[99]

Drug(s) Targeting Dihydrodiol dehydrogenase type I (AKR1C3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flufenamic Acid	DMC8VNH	Dysmenorrhea	GA34.3	Approved	[100]
ASP-9521	DM8V0UL	Prostate cancer	2C82.0	Phase 1/2	[101]
N-(benzimidazole/indole) benzoic acid derivative 2	DMOPUFM	N. A.	N. A.	Patented	[102]
N-(phenylamino)-benzoate derivative 1	DMNIWVG	N. A.	N. A.	Patented	[102]
Indomethacin analog 3	DM53JXE	N. A.	N. A.	Patented	[102]
Indomethacin analog 2	DMKFPJ7	N. A.	N. A.	Patented	[102]
Beta-naphthylacetic acids derivative 1	DM5KTDY	N. A.	N. A.	Patented	[102]
Indomethacin analog 1	DM3E5V6	N. A.	N. A.	Patented	[102]
N-(naphthylamino)-benzoate derivative 1	DM310ES	N. A.	N. A.	Patented	[102]
N-(benzimidazolylcarbonyl)-piperidine derivative 1	DM541QW	N. A.	N. A.	Patented	[102]

Drug(s) Targeting Bacterial Hydroxymethyl-dihydropterin pyrophosphokinase (Bact folK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PD-157695	DMDSR1X	Schizophrenia	6A20	Preclinical	[103]
[3H]alphabeta-meATP	DMWV5C3	Discovery agent	N.A.	Investigative	[1]
[Pterin-6-Yl Methanyl]-Phosphonophosphate	DM4ZY79	Discovery agent	N.A.	Investigative	[1]
6-Hydroxymethyl-7,8-Dihydropterin	DMYF60K	Discovery agent	N.A.	Investigative	[1]
6-Hydroxymethylpterin	DM7EWDN	Discovery agent	N.A.	Investigative	[17]
P(1)-(6-Hydroxymethylpterin)-P(4)-(5'-adenosyl)tetraphosphate	DMOY627	Discovery agent	N.A.	Investigative	[103]

Drug(s) Targeting Estrogen receptor beta (ESR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Conjugated Estrogens	DMLT0E1	Dyspareunia	GA12	Approved	[104]
Trilostane	DMQZ9GF	Cushing disease	5A70	Approved	[89]
ARZOXIFENE	DMOKCVI	Breast cancer	2C60-2C65	Approved	[105]
Estrogen	DMGY0UT	Menopause symptom	GA30.0	Approved	[106]
MF-101	DM8Z0I3	Hepatitis virus infection	1E50-1E51	Phase 3	[107]
Genistein	DM0JETC	Menopause symptom	GA30.0	Phase 2/3	[108]
AUS-131	DMUXO3Z	Hot flushes	GA30	Phase 2	[109]
ERB-041	DMCEPUA	Inflammatory bowel disease	DD72	Phase 2	[110]
Erteberel	DMU1XZD	Prostate hyperplasia	GA90	Phase 2	[111]
VG-101	DMAN21O	Menopause symptom	GA30.0	Phase 1/2	[112]

Drug(s) Targeting Angiotensin-converting enzyme (ACE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[113]
Spirapril	DM5XLTY	Hypertension	BA00-BA04	Approved	[114]
Captopril	DM458UM	Chronic heart failure	BD1Z	Approved	[115]
Benazepril	DMH1M9B	Hypertension	BA00-BA04	Approved	[116]
Moexipril	DM26E4B	Hypertension	BA00-BA04	Approved	[117]
Ramipril	DM2R68E	Acute heart failure	BD10-BD13	Approved	[118]
Perindopril	DMOPZDT	Hypertension	BA00-BA04	Approved	[119]
Trandolapril	DM4L6EU	Chronic heart failure	BD1Z	Approved	[120]
Fosinopril	DM9NJ52	Chronic heart failure	BD1Z	Approved	[121]
Lisinopril	DMUOK4C	Chronic heart failure	BD1Z	Approved	[122]

Drug(s) Targeting Thioredoxin (TXN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PX-12	DMLVHAJ	Pancreatic cancer	2C10	Phase 2	[123]
Cacodylate Ion	DMK4XLD	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting PTPN1 messenger RNA (PTPN1 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[124]
TRYPAN BLUE	DM4NTMO	Ophthalmic surgery injury	PK97	Approved	[125]
URSOLIC ACID	DM4SOAW	Metabolic syndrome x	5C50-5D2Z	Phase 2	[126]
ISIS 113715	DMUPD4G	Type-2 diabetes	5A11	Phase 2	[127]
ISIS-PTP1Brx	DMJGVXT	Type-2 diabetes	5A11	Phase 2	[128]
ERTIPROTAFIB	DMJXEV7	Type-2 diabetes	5A11	Terminated	[129]
B-Octylglucoside	DMMO75G	Discovery agent	N.A.	Investigative	[1]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
Double Oxidized Cysteine	DM6TU84	Discovery agent	N.A.	Investigative	[1]
1,2-NAPHTHOQUINONE	DMYXELH	Discovery agent	N.A.	Investigative	[130]

Drug(s) Targeting Mycobacterium Thymidine monophosphate kinase (MycB tmk)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AMP-PNP	DMTOK1D	Discovery agent	N.A.	Investigative	[22]
2'-deoxythymidine triphosphate	DM9OEJT	Discovery agent	N.A.	Investigative	[1]
Deoxythymidine	DMR90HY	Discovery agent	N.A.	Investigative	[1]
Diphosphate	DMHY30B	Discovery agent	N.A.	Investigative	[1]
Thymidine-5'-Phosphate	DMKM6NQ	Discovery agent	N.A.	Investigative	[1]
P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate	DMM4VWD	Discovery agent	N.A.	Investigative	[17]
3'-Azido-3'-Deoxythymidine-5'-Monophosphate	DMU08MN	Discovery agent	N.A.	Investigative	[1]
5-Hydroxymethyluridine-2'-Deoxy-5'-Monophosphate	DMWVCJ1	Discovery agent	N.A.	Investigative	[1]
CHLORODEOXYURIDINE	DMQT3WJ	Discovery agent	N.A.	Investigative	[131]
BROMODEOXYURIDINE	DM0D7LA	Discovery agent	N.A.	Investigative	[131]

Drug(s) Affected By Heat shock factor protein 1 (HSF1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[132]
SPI-1005	DM6XFHS	Reperfusion injury	ND56.Z	Approved	[2]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[2]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[133]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[134]
Ceftazidime	DM41GRA	Bacteremia	1A73	Approved	[2]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[135]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[2]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[2]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[2]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin-converting enzyme (ACE)	TTL69WB	ACE_HUMAN	Inhibitor	[1]
Bacterial Deoxyuridine triphosphate nucleotidohydrolase (Bact dut)	TTY8KJS	DUT_ECOLI	Inhibitor	[1]
Bacterial Glucosamine-6-phosphate synthase (Bact glmS)	TTC67I0	GLMS_ECOLI	Inhibitor	[1]
Bacterial Hydroxymethyl-dihydropterin pyrophosphokinase (Bact folK)	TT38ECI	HPPK_ECOLI	Inhibitor	[1]
Calmodulin (CALM)	TTV3NH6	CALM1_HUMAN; CALM2_HUMAN; CALM3_HUMAN	Inhibitor	[1]
Candida Mannose-6-phosphate isomerase (Candi PMI1)	TT915ZD	MPI_CANAL	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Dihydrodiol dehydrogenase type I (AKR1C3)	TT5ZWB6	AK1C3_HUMAN	Inhibitor	[1]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]
GABA transaminase (ABAT)	TTT2LD9	GABT_HUMAN	Inhibitor	[1]
Hydroxyphenylpyruvate dioxygenase (HPD)	TT8DSFC	HPPD_HUMAN	Inhibitor	[1]
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-12 (MMP-12)	TTXZ0KQ	MMP12_HUMAN	Inhibitor	[1]
Mycobacterium Biosynthetic alanine racemase (MycB alr)	TT6TMZU	ALR_MYCSM	Inhibitor	[1]
Mycobacterium Thymidine monophosphate kinase (MycB tmk)	TT5B8AX	KTHY_MYCTU	Inhibitor	[1]
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Pancreatic elastase 1 (CELA1)	TT3NKIB	CELA1_HUMAN	Inhibitor	[1]
Phospholipase A2 (PLA2G1B)	TT9V5JH	PA21B_HUMAN	Inhibitor	[1]
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ)	TTBL49X	HGXR_PLAFG	Inhibitor	[1]
PTPN1 messenger RNA (PTPN1 mRNA)	TTELIN2	PTN1_HUMAN	Inhibitor	[1]
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Inhibitor	[1]
Staphylococcus D-amino acid aminotransferase (Stap-coc dat)	TTN6GE9	DAAA_STAHA	Inhibitor	[1]
Superoxide dismutase Cu-Zn (SOD Cu-Zn)	TT6RVLG	SODC_HUMAN	Inhibitor	[1]
Thioredoxin (TXN)	TTZJ5U9	THIO_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Heat shock factor protein 1 (HSF1)	OTYNJ4KP	HSF1_HUMAN	Gene/Protein Processing	[2]

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