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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: DB12332
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB12332 Rucaparib Thumb


3 known interactions (targets) of input drug (DB12332): Rucaparib
No. Gene UniProt ID Protein Name Pathway PDB
1 PARP2 Q9UGN5 Poly [ADP-ribose] polymerase 2 hsa03410; hsa04210; hsa04217 4RV6; 3KCZ; 3KJD; 4PJV; 4TVJ; 4ZZX; 4ZZY
2 PARP3 Q9Y6F1 Poly [ADP-ribose] polymerase 3 hsa03410; hsa04210; hsa04217 4RV6; 2EOC; 3C49; 3C4H; 3CE0; 3FHB; 4GV0; 4GV2; 4GV4; 4L6Z; 4L70; 4L7L; 4L7N; 4L7O; 4L7P; 4L7R; 4L7U
3 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217


20 predicted interactions (targets) of input drug (DB12332): Rucaparib
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH 20.5%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 19.2%
3 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 18.1%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 16.2%
5 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 15.8%
6 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 15.5%
7 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 14.9%
8 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 14.9%
9 VKORC1 Q9BQB6 Vitamin K epoxide reductase complex subunit 1 hsa00130 NA 14.9%
10 ALDOA P04075 Fructose-bisphosphate aldolase A hsa00010; hsa00030; hsa00051; hsa01100; hsa01200; hsa01230; hsa04066 1ALD; 2ALD; 4ALD 14.8%
11 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 14.7%
12 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 14.5%
13 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 14.4%
14 ALDOB P05062 Fructose-bisphosphate aldolase B hsa00010; hsa00030; hsa00051; hsa01100; hsa01200; hsa01230 1QO5; 1XDL; 1XDM 14.0%
15 NQO1 P15559 NAD(P)H dehydrogenase [quinone] 1 hsa00130; hsa05200; hsa05225; hsa05418 1D4A; 1DXO; 1GG5; 1H66; 1H69; 1KBO; 1KBQ; 1QBG; 2F1O; 3JSX; 4CET; 4CF6 13.9%
16 MAPK8 P45983 Mitogen-activated protein kinase 8 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04664; hsa04668; hsa04722; hsa04723; hsa04728; hsa04750; hsa04910; hsa04912; hsa04914; hsa04917; hsa04920; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa05120; hsa05131; hsa05132; hsa05133; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05164; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 13.3%
17 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 13.2%
18 PARP15 Q460N3 Poly [ADP-ribose] polymerase 15 NA 3BLJ; 3GEY; 3V2B; 4F0E 12.9%
19 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 12.7%
20 TGM3 Q08188 Protein-glutamine gamma-glutamyltransferase E NA 1L9M; 1L9N; 1NUD; 1NUF; 1NUG 12.6%


  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.