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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: DB02587
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental;
Investigational		 SmallMoleculeDrug DB02587 Colforsin Thumb


4 known interactions (targets) of input drug (DB02587): Colforsin
No. Gene UniProt ID Protein Name Pathway PDB
1 ADCY5 O95622 Adenylate cyclase type 5 hsa00230; hsa01522; hsa04015; hsa04022; hsa04024; hsa04062; hsa04072; hsa04114; hsa04211; hsa04213; hsa04261; hsa04270; hsa04371; hsa04540; hsa04611; hsa04713; hsa04714; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04750; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04921; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa04976; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034; hsa05163; hsa05166; hsa05200; hsa05414 NA
2 GNAS P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short hsa01522; hsa04015; hsa04020; hsa04024; hsa04072; hsa04261; hsa04270; hsa04540; hsa04611; hsa04713; hsa04714; hsa04724; hsa04726; hsa04728; hsa04730; hsa04750; hsa04911; hsa04912; hsa04913; hsa04915; hsa04916; hsa04918; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04972; hsa04976; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05142; hsa05146; hsa05163; hsa05165; hsa05200; hsa05414 NA
3 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
4 ADCY2 Q08462 Adenylate cyclase type 2 hsa00230; hsa01522; hsa04015; hsa04020; hsa04022; hsa04024; hsa04062; hsa04072; hsa04114; hsa04211; hsa04213; hsa04261; hsa04270; hsa04371; hsa04540; hsa04611; hsa04713; hsa04714; hsa04723; hsa04724; hsa04725; hsa04727; hsa04750; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04921; hsa04922; hsa04923; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa04976; hsa05032; hsa05163; hsa05166; hsa05200; hsa05414 NA


20 predicted interactions (targets) of input drug (DB02587): Colforsin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 31.0%
2 ADCY1 Q08828 Adenylate cyclase type 1 hsa00230; hsa01522; hsa04015; hsa04020; hsa04022; hsa04024; hsa04062; hsa04072; hsa04114; hsa04211; hsa04213; hsa04261; hsa04270; hsa04371; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04727; hsa04750; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04921; hsa04923; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa04976; hsa05032; hsa05142; hsa05146; hsa05163; hsa05166; hsa05200; hsa05414 NA 29.1%
3 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 26.2%
4 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 24.9%
5 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 24.6%
6 VEGFA P15692 Vascular endothelial growth factor A hsa01521; hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04370; hsa04510; hsa04926; hsa04933; hsa05163; hsa05165; hsa05167; hsa05200; hsa05205; hsa05206; hsa05211; hsa05212; hsa05219; hsa05323; hsa05418 24.0%
7 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
 23.9%
8 CCNA2 P20248 Cyclin-A2 hsa04110; hsa04152; hsa04218; hsa04914; hsa05161; hsa05165; hsa05169; hsa05203 22.3%
9 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 21.5%
10 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 21.5%
11 SLC18A2 Q05940 Synaptic vesicular amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 21.3%
12 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 20.7%
13 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 20.4%
14 AURKA O14965 Aurora kinase A hsa04114; hsa04914 20.3%
15 THBD P07204 Thrombomodulin hsa04610; hsa04933; hsa05418 1ADX; 1DQB; 1DX5; 1EGT; 1FGD; 1FGE; 1HLT; 1TMR; 1ZAQ; 2ADX; 3GIS 20.3%
16 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 20.3%
17 SLC15A1 P46059 Solute carrier family 15 member 1 hsa04974 NA 20.2%
18 PKM P14618 Pyruvate kinase PKM hsa00010; hsa00230; hsa00620; hsa01100; hsa01200; hsa01230; hsa04922; hsa04930; hsa05165; hsa05203; hsa05230 19.1%
19 FABP2 P12104 Fatty acid-binding protein, intestinal hsa03320; hsa04975 1KZW; 1KZX; 2MJI; 2MO5; 3AKM; 3IFB 19.0%
20 AOC3 Q16853 Membrane primary amine oxidase hsa00260; hsa00350; hsa00360; hsa00410; hsa01100 1PU4; 1US1; 2C10; 2C11; 2Y73; 2Y74; 3ALA; 4BTW; 4BTX; 4BTY 19.0%


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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.