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

General Information of Drug (ID: DMPFVJB)

• Drug Name: 5-hydroxymethyl-2-furfural Drug Info
• Synonyms: Aes-103; 5-HMF; 5-hydroxymethylfurfural

Indication

Disease Entry	ICD 11	Status	REF
Anemia	3A00-3A9Z	Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 237332
  CAS Number: 67-47-0
  TTD Drug ID: DMPFVJB

Molecule-Related Drug Atlas

Drug(s) Targeting Hemoglobin (HB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Voxelotor	DMCS6M5	Sickle-cell disorder	3A51	Approved	[4]
Iron	DMAP8MV	Anemia of prematurity		Approved	[5]
Iron Dextran	DM5OY70	Iron-deficiency anemia	3A00	Approved	[5]
PolyHeme	DMV8EXG	Blood forming organ disorder	JB64.1	Phase 3	[6]
Efaproxyn	DMX7BM4	Lung cancer	2C25.0	Phase 3	[7]
Hemoglobin raffimer	DMMTL7V	Anemia	3A00-3A9Z	Phase 2/3	[8]
GBT021601	DMD3C21	Sickle-cell disorder	3A51	Phase 2/3	[9]
FBS-0701	DMR3952	Iron overload disease	5C64.10	Phase 2	[10]
HQK-1001	DM7QUN0	Beta thalassemia	3A50.2	Phase 2	[11]
OXY-111A	DMTH75R	Cardiovascular disease	BA00-BE2Z	Phase 1/2	[12]

Drug(s) Affected By Sulfotransferase 1A1 (SULT1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[13]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[14]
Minoxidil	DMA2Z4F	Alopecia	ED70	Approved	[15]
Benzyl alcohol	DMBVYDI	Head and body lice	1G00.0	Approved	[16]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[15]
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[17]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[18]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[19]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[21]

Drug(s) Affected By Sulfotransferase 1A2 (SULT1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Benzyl alcohol	DMBVYDI	Head and body lice	1G00.0	Approved	[16]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[21]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[22]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[23]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[24]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[25]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[26]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[27]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[13]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hemoglobin (HB)	TTQO71U	HBA_HUMAN	Modulator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sulfotransferase 1A1 (SULT1A1)	OT0K7JIE	ST1A1_HUMAN	Drug Response	[3]
Sulfotransferase 1A2 (SULT1A2)	OT7EJ6LQ	ST1A2_HUMAN	Drug Response	[3]

References

• [1] ClinicalTrials.gov (NCT01987908) Evaluation of Different Dose Regimens of Aes-103 Given for 28 Days to Subjects With Stable Sickle Cell Disease. U.S. National Institutes of Health.
• [2] 5-hydroxymethyl-2-furfural modifies intracellular sickle haemoglobin and inhibits sickling of red blood cells. Br J Haematol. 2005 Feb;128(4):552-61.
• [3] Intestinal carcinogenesis of two food processing contaminants, 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine and 5-hydroxymethylfurfural, in transgenic FVB min mice expressing human sulfotransferases. Mol Carcinog. 2012 Dec;51(12):984-92. doi: 10.1002/mc.20869. Epub 2011 Oct 17.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [5] Efficacy and safety of total dose infusion of low molecular weight iron dextran in the treatment of iron deficiency anemia during pregnancy. J Coll Physicians Surg Pak. 2008 Jul;18(7):424-7.
• [6] Blood substitutes- the polyheme trials. Mcgill J Med. 2008 January; 11(1): 59-65.
• [7] Increased oxygenation of intracranial tumors by efaproxyn (efaproxiral), an allosteric hemoglobin modifier: In vivo EPR oximetry study. Int J Radiat Oncol Biol Phys. 2005 Apr 1;61(5):1503-9.
• [8] Use of hemoglobin raffimer for postoperative life-threatening anemia in a Jehovah's Witness. Can J Anaesth. 2005 Apr;52(4):369-73.
• [9] GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model. Br J Haematol. 2023 Jul;202(1):173-183.
• [10] A high-affinity fully human anti-IL-6 mAb, 1339, for the treatment of multiple myeloma. Clin Cancer Res. 2009 Dec 1;15(23):7144-52.
• [11] A phase 2 study of HQK-1001, an oral fetal haemoglobin inducer, in beta-thalassaemia intermedia. Br J Haematol. 2014 Feb;164(3):456-8.
• [12] Modulating the oxygen affinity of human fetal haemoglobin with synthetic allosteric modulators. Br J Haematol. 1998 Sep;102(5):1165-71.
• [13] Multiple microRNAs function as self-protective modules in acetaminophen-induced hepatotoxicity in humans. Arch Toxicol. 2018 Feb;92(2):845-858.
• [14] Characterization of human liver thermostable phenol sulfotransferase (SULT1A1) allozymes with 3,3',5-triiodothyronine as the substrate. J Endocrinol. 2001 Dec;171(3):525-32.
• [15] Enzymatic characterization and interspecies difference of phenol sulfotransferases, ST1A forms. Drug Metab Dispos. 2001 Mar;29(3):274-81.
• [16] Sulfation of benzyl alcohol by the human cytosolic sulfotransferases (SULTs): a systematic analysis. J Appl Toxicol. 2016 Sep;36(9):1090-4.
• [17] Inhibition of human phenol and estrogen sulfotransferase by certain non-steroidal anti-inflammatory agents. Curr Drug Metab. 2006 Oct;7(7):745-53.
• [18] Minimal peroxide exposure of neuronal cells induces multifaceted adaptive responses. PLoS One. 2010 Dec 17;5(12):e14352. doi: 10.1371/journal.pone.0014352.
• [19] Methotrexate induction of human sulfotransferases in Hep G2 and Caco-2 cells. J Appl Toxicol. 2005 Sep-Oct;25(5):354-60.
• [20] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [21] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [22] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [23] Chronic occupational exposure to arsenic induces carcinogenic gene signaling networks and neoplastic transformation in human lung epithelial cells. Toxicol Appl Pharmacol. 2012 Jun 1;261(2):204-16.
• [24] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [25] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [26] Folic acid supplementation dysregulates gene expression in lymphoblastoid cells--implications in nutrition. Biochem Biophys Res Commun. 2011 Sep 9;412(4):688-92. doi: 10.1016/j.bbrc.2011.08.027. Epub 2011 Aug 16.
• [27] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.