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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: DB03366
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental;
Investigational		 SmallMoleculeDrug DB03366 Imidazole Thumb


9 known interactions (targets) of input drug (DB03366): Imidazole
No. Gene UniProt ID Protein Name Pathway PDB
1 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100
2 CYCS P99999 Cytochrome c hsa01524; hsa04115; hsa04210; hsa04215; hsa04932; hsa05010; hsa05012; hsa05014; hsa05016; hsa05134; hsa05145; hsa05152; hsa05161; hsa05163; hsa05164; hsa05167; hsa05168; hsa05170; hsa05200; hsa05210; hsa05222; hsa05416 1J3S; 3NWV; 3ZCF; 3ZOO
3 GPHN Q9NQX3 Gephyrin hsa00790; hsa01100; hsa04727 1JLJ
4 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS
5 MYO1E Q12965 Unconventional myosin-Ie NA NA
6 AK2 P54819 Adenylate kinase 2, mitochondrial hsa00230; hsa00730; hsa01100 2C9Y
7 MB P02144 Myoglobin NA 3RGK
8 DMC1 Q14565 Meiotic recombination protein DMC1/LIM15 homolog NA 1V5W; 2ZJB; 4HYY
9 PIM1 P11309 Serine/threonine-protein kinase pim-1 hsa04630; hsa04933; hsa05200; hsa05206; hsa05221


20 predicted interactions (targets) of input drug (DB03366): Imidazole
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032 35.4%
2 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 35.0%
3 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 29.1%
4 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 25.6%
5 ARG1 P05089 Arginase-1 hsa00220; hsa00330; hsa01100; hsa01230; hsa05146 25.3%
6 ADORA2B P29275 Adenosine receptor A2b hsa04015; hsa04020; hsa04080; hsa04270; hsa05034 NA 24.9%
7 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 24.8%
8 PRKCQ Q04759 Protein kinase C theta type hsa04064; hsa04140; hsa04270; hsa04658; hsa04659; hsa04660; hsa04750; hsa04920; hsa04931; hsa05162 1XJD; 2ENJ; 2ENN; 2ENZ; 2JED; 4Q9Z; 4RA5 23.0%
9 PNP P00491 Purine nucleoside phosphorylase hsa00230; hsa00240; hsa00760; hsa01100 22.7%
10 EIF4E P06730 Eukaryotic translation initiation factor 4E hsa01521; hsa03013; hsa04066; hsa04150; hsa04151; hsa04211; hsa04910 21.5%
11 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 21.2%
12 PRKACA P17612 cAMP-dependent protein kinase catalytic subunit alpha hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414 21.0%
13 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 20.7%
14 BRAF P15056 Serine/threonine-protein kinase B-raf hsa01521; hsa01522; hsa04010; hsa04012; hsa04015; hsa04024; hsa04062; hsa04068; hsa04150; hsa04270; hsa04510; hsa04650; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04914; hsa04928; hsa04934; hsa05034; hsa05160; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226 20.4%
15 PRKAB1 Q9Y478 5'-AMP-activated protein kinase subunit beta-1 hsa04068; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410 4CFE; 4CFF 20.3%
16 PNMT P11086 Phenylethanolamine N-methyltransferase hsa00350; hsa01100 19.0%
17 AKR1B10 O60218 Aldo-keto reductase family 1 member B10 hsa00040; hsa00051; hsa00052; hsa00561; hsa00790; hsa01100 1ZUA; 4GA8; 4GAB; 4GQ0; 4GQG; 4I5X; 4ICC; 4JIH; 4JII; 4WEV; 4XZL; 4XZM; 4XZN 18.9%
18 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 18.9%
19 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 18.8%
20 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 18.5%


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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.