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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: DB08048
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08048 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL Thumb


2 known interactions (targets) of input drug (DB08048): 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
2 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919


20 predicted interactions (targets) of input drug (DB08048): 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 43.8%
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 35.5%
3 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 27.5%
4 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 25.3%
5 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 23.6%
6 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 21.8%
7 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 21.8%
8 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 21.4%
9 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 21.4%
10 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 20.5%
11 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 20.1%
12 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 19.3%
13 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1 18.0%
14 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 16.4%
15 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 15.3%
16 MAPK14 Q16539 Mitogen-activated protein kinase 14 hsa01522; hsa04010; hsa04015; hsa04068; hsa04071; hsa04218; hsa04261; hsa04370; hsa04380; hsa04550; hsa04611; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04664; hsa04668; hsa04670; hsa04714; hsa04722; hsa04723; hsa04728; hsa04750; hsa04912; hsa04914; hsa04917; hsa04926; hsa04933; hsa05014; hsa05120; hsa05131; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05152; hsa05160; hsa05163; hsa05164; hsa05167; hsa05169; hsa05170; hsa05205; hsa05418
1A9U; 1BL6; 1BL7; 1BMK; 1DI9; 1IAN; 1KV1; 1KV2; 1M7Q; 1OUK; 1OUY; 1OVE; 1OZ1; 1R39; 1R3C; 1W7H; 1W82; 1W83; 1W84; 1WBN; 1WBO; 1WBS; 1WBT; 1WBV; 1WBW; 1WFC; 1YQJ; 1ZYJ; 1ZZ2; 1ZZL; 2BAJ; 2BAK; 2BAL; 2BAQ; 2FSL; 2FSM; 2FSO; 2FST; 2GFS; 2I0H; 2LGC; 2NPQ; 2OKR; 2ONL; 2QD9; 2RG5; 2RG6; 2Y8O; 2YIS; 2YIW; 2YIX; 2ZAZ; 2ZB0; 2ZB1; 3BV2; 3BV3; 3BX5; 3C5U; 3CTQ; 3D7Z; 3D83; 3DS6; 3DT1; 3E92; 3E93; 3FC1; 3FI4; 3FKL; 3FKN; 3FKO; 3FL4; 3FLN; 3FLQ; 3FLS; 3FLW; 3FLY; 3FLZ; 3FMH; 3FMJ; 3FMK; 3FML; 3FMM; 3FMN; 3FSF; 3FSK; 3GC7; 3GCP; 3GCQ; 3GCS; 3GCU; 3GCV; 3GFE; 3GI3; 3HA8; 3HEC; 3HEG; 3HL7; 3HLL; 3HP2; 3HP5; 3HRB; 3HUB; 3HUC; 3HV3; 3HV4; 3HV5; 3HV6; 3HV7; 3HVC; 3IPH; 3ITZ; 3IW5; 3IW6; 3IW7; 3IW8; 3K3I; 3K3J; 3KF7; 3KQ7; 3L8S; 3L8X; 3LFA; 3LFB; 3LFC; 3LFD; 3LFE; 3LFF; 3LHJ; 3MGY; 3MH0; 3MH1; 3MH2; 3MH3; 3MPA; 3MPT; 3MVL; 3MVM; 3MW1; 3NEW; 3NNU; 3NNV; 3NNW; 3NNX; 3NWW; 3O8P; 3O8T; 3O8U; 3OBG; 3OBJ; 3OC1; 3OCG; 3OD6; 3ODY; 3ODZ; 3OEF; 3PG3; 3QUD; 3QUE; 3RIN; 3ROC; 3S3I; 3S4Q; 3U8W; 3UVP; 3UVQ; 3UVR; 3ZS5; 3ZSG; 3ZSH; 3ZSI; 3ZYA; 4A9Y; 4AA0; 4AA4; 4AA5; 4AAC; 4DLI; 4DLJ; 4E5A; 4E5B; 4E6A; 4E6C; 4E8A; 4EH2; 4EH3; 4EH4; 4EH5; 4EH6; 4EH7; 4EH8; 4EH9; 4EHV; 4EWQ; 4F9W; 4F9Y; 4FA2; 4GEO; 4KIN; 4KIP; 4KIQ; 4L8M; 4R3C
 14.4%
17 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 13.9%
18 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 13.3%
19 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL 13.1%
20 CALM1 P0DP23 Calmodulin NA 13.1%


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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.