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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: DB07950
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB07950 1H-INDOL-3-YLACETIC ACID Thumb

3 known interactions (targets) of input drug (DB07950): 1H-INDOL-3-YLACETIC ACID
No. Gene UniProt ID Protein Name Pathway PDB
1 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA
2 SKP1 P63208 S-phase kinase-associated protein 1 hsa04110; hsa04114; hsa04120; hsa04141; hsa04310; hsa04350; hsa04710; hsa05168; hsa05170; hsa05200 1FQV; 1FS1; 1FS2; 1LDK; 1P22; 2ASS; 2AST; 2E31; 2E32; 2OVP; 2OVQ; 2OVR; 3L2O; 3WSO; 4I6J
3 CCBL1 Q16773 Kynurenine--oxoglutarate transaminase 1 hsa00380; hsa00450; hsa01100; hsa05204 1W7L; 1W7M; 1W7N; 3FVS; 3FVU; 3FVX; 4WLH; 4WLJ; 4WP0

20 predicted interactions (targets) of input drug (DB07950): 1H-INDOL-3-YLACETIC ACID
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 23.0%
2 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH 21.2%
3 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 20.0%
4 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 18.1%
5 TOP1 P11387 DNA topoisomerase 1 NA 1A31; 1A35; 1A36; 1EJ9; 1K4S; 1K4T; 1LPQ; 1NH3; 1R49; 1RR8; 1RRJ; 1SC7; 1SEU; 1T8I; 1TL8 17.8%
6 ARF1 P84077 ADP-ribosylation factor 1 hsa04072; hsa04144; hsa05110; hsa05134 1HUR; 1RE0; 1U81; 3O47; 4HMY 17.5%
7 JAK2 O60674 Tyrosine-protein kinase JAK2 hsa01521; hsa04062; hsa04151; hsa04217; hsa04550; hsa04630; hsa04658; hsa04659; hsa04725; hsa04917; hsa04920; hsa04933; hsa05140; hsa05145; hsa05152; hsa05162; hsa05164; hsa05167; hsa05168; hsa05200 16.5%
8 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 16.4%
9 ANXA1 P04083 Annexin A1 NA 1AIN; 1BO9; 1QLS 16.0%
10 MMP9 P14780 Matrix metalloproteinase-9 hsa01522; hsa04657; hsa04668; hsa04670; hsa04915; hsa04926; hsa05161; hsa05200; hsa05202; hsa05205; hsa05206; hsa05215; hsa05219; hsa05418 1GKC; 1GKD; 1ITV; 1L6J; 1LKG; 2OVX; 2OVZ; 2OW0; 2OW1; 2OW2; 4H1Q; 4H2E; 4H3X; 4H82; 4HMA; 4JIJ; 4JQG; 4WZV; 4XCT 15.7%
11 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 15.4%
12 INS P01308 Insulin hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04810; hsa04910; hsa04911; hsa04913; hsa04914; hsa04917; hsa04923; hsa04930; hsa04931; hsa04932; hsa04940; hsa04950; hsa04960; hsa05215
1A7F; 1AI0; 1AIY; 1B9E; 1BEN; 1EFE; 1EV3; 1EV6; 1EVR; 1FU2; 1FUB; 1G7A; 1G7B; 1GUJ; 1HIQ; 1HIS; 1HIT; 1HLS; 1HTV; 1HUI; 1IOG; 1IOH; 1J73; 1JCA; 1JCO; 1JK8; 1K3M; 1KMF; 1LKQ; 1LPH; 1MHI; 1MHJ; 1MSO; 1OS3; 1OS4; 1Q4V; 1QIY; 1QIZ; 1QJ0; 1RWE; 1SF1; 1SJT; 1SJU; 1T0C; 1T1K; 1T1P; 1T1Q; 1TRZ; 1TYL; 1TYM; 1UZ9; 1VKT; 1W8P; 1XDA; 1XGL; 1XW7; 1ZEG; 1ZEH; 1ZNJ; 2AIY; 2C8Q; 2C8R; 2CEU; 2G54; 2G56; 2H67; 2HH4; 2HHO; 2HIU; 2JMN; 2JUM; 2JUU; 2JUV; 2JV1; 2JZQ; 2K91; 2K9R; 2KJJ; 2KJU; 2KQP; 2KQQ; 2KXK; 2L1Y; 2L1Z; 2LGB; 2LWZ; 2M1D; 2M1E; 2M2M; 2M2N; 2M2O; 2M2P; 2MLI; 2MPG; 2MPI; 2MVC; 2MVD; 2OLY; 2OLZ; 2OM0; 2OM1; 2OMG; 2OMH; 2OMI; 2OMQ; 2QIU; 2R34; 2R35; 2R36; 2RN5; 2VJZ; 2VK0; 2W44; 2WBY; 2WC0; 2WRU; 2WRV; 2WRW; 2WRX; 2WS0; 2WS1; 2WS4; 2WS6; 2WS7; 3AIY; 3BXQ; 3E7Y; 3E7Z; 3EXX; 3FQ9; 3HYD; 3I3Z; 3I40; 3ILG; 3INC; 3IR0; 3JSD; 3KQ6; 3P2X; 3P33; 3Q6E; 3ROV; 3TT8; 3U4N; 3UTQ; 3UTS; 3UTT; 3V19; 3V1G; 3W11; 3W12; 3W13; 3W7Y; 3W7Z; 3W80; 3ZI3; 3ZQR; 3ZS2; 3ZU1; 4AIY; 4AJX; 4AJZ; 4AK0; 4AKJ; 4CXL; 4CXN; 4CY7; 4EFX; 4EWW; 4EWX; 4EWZ; 4EX0; 4EX1; 4EXX; 4EY1; 4EY9; 4EYD; 4EYN; 4EYP; 4F0N; 4F0O; 4F1A; 4F1B; 4F1C; 4F1D; 4F1F; 4F1G; 4F4T; 4F4V; 4F51; 4F8F; 4FG3; 4FKA; 4GBC; 4GBI; 4GBK; 4GBL; 4GBN; 4IUZ; 4IYD; 4IYF; 4NIB; 4OGA; 4P65; 4Q5Z; 4RXW; 4UNE; 4UNG; 4UNH; 4WDI; 4XC4; 4Y19; 4Y1A; 4Z76; 4Z77; 4Z78; 5AIY; 5CNY; 5CO2; 5CO6; 5CO9
13 CASP3 P42574 Caspase-3 hsa01524; hsa04010; hsa04115; hsa04210; hsa04215; hsa04650; hsa04657; hsa04668; hsa04726; hsa04932; hsa04933; hsa05010; hsa05012; hsa05014; hsa05016; hsa05120; hsa05133; hsa05134; hsa05145; hsa05146; hsa05152; hsa05161; hsa05163; hsa05165; hsa05167; hsa05168; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05222; hsa05416 15.0%
14 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 14.9%
15 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 14.9%
16 PIM1 P11309 Serine/threonine-protein kinase pim-1 hsa04630; hsa04933; hsa05200; hsa05206; hsa05221 14.7%
17 ADH1C P00326 Alcohol dehydrogenase 1C hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DDA; 1HT0; 1U3W 14.7%
18 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 14.7%
19 FKBP1A P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A NA 14.6%
20 GSTP1 P09211 Glutathione S-transferase P hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05215; hsa05225; hsa05418 14.5%


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.


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.