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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: DB00887
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00887 Bumetanide Thumb


5 known interactions (targets) of input drug (DB00887): Bumetanide
No. Gene UniProt ID Protein Name Pathway PDB
1 SLC12A1 Q13621 Solute carrier family 12 member 1 NA NA
2 SLC12A4 Q9UP95 Solute carrier family 12 member 4 NA NA
3 SLC12A5 Q9H2X9 Solute carrier family 12 member 5 hsa04727 NA
4 CFTR P13569 Cystic fibrosis transmembrane conductance regulator hsa02010; hsa04024; hsa04152; hsa04530; hsa04971; hsa04972; hsa04976; hsa05110 1NBD; 1XMI; 1XMJ; 2BBO; 2BBS; 2BBT; 2LOB; 2PZE; 2PZF; 2PZG; 3GD7; 3ISW
5 SLC12A2 P55011 Solute carrier family 12 member 2 hsa04970; hsa04972; hsa05110 NA


20 predicted interactions (targets) of input drug (DB00887): Bumetanide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SLC12A6 Q9UHW9 Solute carrier family 12 member 6 NA NA 29.1%
2 SLC12A7 Q9Y666 Solute carrier family 12 member 7 hsa04966 NA 26.3%
3 CS O75390 Citrate synthase, mitochondrial hsa00020; hsa00630; hsa01100; hsa01200; hsa01210; hsa01230 NA 21.2%
4 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 20.4%
5 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 19.7%
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 19.7%
7 AURKA O14965 Aurora kinase A hsa04114; hsa04914 19.2%
8 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 17.8%
9 CELA1 Q9UNI1 Chymotrypsin-like elastase family member 1 NA NA 17.5%
10 MAPK10 P53779 Mitogen-activated protein kinase 10 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; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 17.5%
11 ABCB1 P08183 Multidrug resistance protein 1 hsa02010; hsa04976; hsa05206; hsa05226 NA 16.9%
12 NT5C2 P49902 Cytosolic purine 5'-nucleotidase hsa00230; hsa00240; hsa00760; hsa01100 2J2C; 2JC9; 2JCM; 2XCV; 2XCW; 2XCX; 2XJB; 2XJC; 2XJD; 2XJE; 2XJF; 4H4B 16.3%
13 LHCGR P22888 Lutropin-choriogonadotropic hormone receptor hsa04020; hsa04080; hsa04913; hsa04917 1LUT; 1XUL 16.1%
14 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 16.0%
15 HK1 P19367 Hexokinase-1 hsa00010; hsa00051; hsa00052; hsa00500; hsa00520; hsa00524; hsa01100; hsa01200; hsa04066; hsa04910; hsa04930; hsa04973; hsa05230 1CZA; 1DGK; 1HKB; 1HKC; 1QHA; 4F9O; 4FOE; 4FOI; 4FPA; 4FPB 15.9%
16 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 15.8%
17 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 15.3%
18 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 15.0%
19 RARB P10826 Retinoic acid receptor beta hsa05200; hsa05222; hsa05223; hsa05226 1HRA; 1XAP; 4DM6; 4DM8; 4JYG; 4JYH; 4JYI 14.9%
20 FABP2 P12104 Fatty acid-binding protein, intestinal hsa03320; hsa04975 1KZW; 1KZX; 2MJI; 2MO5; 3AKM; 3IFB 14.9%


  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.