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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB05532
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB05532 BMS-488043 Thumb


1 known interactions (targets) of input drug (DB05532): BMS-488043
No. Gene UniProt ID Protein Name Pathway PDB
1 FFAR4 Q5NUL3 Free fatty acid receptor 4 NA NA


20 predicted interactions (targets) of input drug (DB05532): BMS-488043
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 19.6%
2 BCHE P06276 Cholinesterase NA 19.3%
3 PRKACA P17612 cAMP-dependent protein kinase catalytic subunit alpha hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414 19.1%
4 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204 17.0%
5 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 14.3%
6 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 14.2%
7 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 14.1%
8 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 13.4%
9 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 13.0%
10 DPYD Q12882 Dihydropyrimidine dehydrogenase [NADP(+)] hsa00240; hsa00410; hsa00770; hsa00983; hsa01100 NA 13.0%
11 NMNAT1 Q9HAN9 Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 hsa00760; hsa01100 1GZU; 1KKU; 1KQN; 1KQO; 1KR2 12.8%
12 PLA2G2A P14555 Phospholipase A2, membrane associated hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1AYP; 1BBC; 1DB4; 1DB5; 1DCY; 1J1A; 1KQU; 1KVO; 1N28; 1N29; 1POD; 1POE; 2GNY; 3U8B; 3U8D; 3U8H; 3U8I 12.7%
13 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 12.5%
14 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA 12.5%
15 FAAH O00519 Fatty-acid amide hydrolase 1 hsa04723 NA 12.1%
16 TACR1 P25103 Substance-P receptor hsa04020; hsa04080; hsa05162 2KS9; 2KSA; 2KSB 12.0%
17 RHD A6PZ59 Rhesus blood group D antigen NA NA 11.9%
18 TYMS P04818 Thymidylate synthase hsa00240; hsa00670; hsa01100; hsa01523 11.7%
19 PTGR1 Q14914 Prostaglandin reductase 1 NA 1ZSV; 2Y05 11.6%
20 PRSS3 P35030 Trypsin-3 hsa04080; hsa04972; hsa04974; hsa05164 1H4W; 2R9P; 3L33; 3L3T; 3P92; 3P95; 4DG4; 4U30; 4U32 11.6%


  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.