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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: DB04209
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved;
SmallMoleculeDrug DB04209 Dequalinium Thumb

3 known interactions (targets) of input drug (DB04209): Dequalinium
No. Gene UniProt ID Protein Name Pathway PDB
1 CNGA1 P29973 cGMP-gated cation channel alpha-1 hsa04022; hsa04024; hsa04744 NA
2 XIAP P98170 E3 ubiquitin-protein ligase XIAP hsa01524; hsa04064; hsa04120; hsa04210; hsa04215; hsa04217; hsa04510; hsa04621; hsa05145; hsa05166; hsa05200; hsa05222
3 KCNMA1 Q12791 Calcium-activated potassium channel subunit alpha-1 hsa04022; hsa04270; hsa04911; hsa04924; hsa04970; hsa04972 2K44; 3MT5; 3NAF

20 predicted interactions (targets) of input drug (DB04209): Dequalinium
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 28.2%
2 ACE P12821 Angiotensin-converting enzyme hsa04614; hsa04924; hsa05142; hsa05410 24.3%
3 S100P P25815 Protein S100-P NA 1J55; 1OZO; 2MJW 24.1%
4 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 22.9%
5 SRC P12931 Proto-oncogene tyrosine-protein kinase Src hsa01521; hsa01522; hsa04012; hsa04015; hsa04062; hsa04137; hsa04144; hsa04360; hsa04370; hsa04510; hsa04520; hsa04530; hsa04540; hsa04611; hsa04625; hsa04727; hsa04750; hsa04810; hsa04912; hsa04915; hsa04917; hsa04919; hsa04921; hsa04926; hsa05100; hsa05120; hsa05131; hsa05152; hsa05161; hsa05163; hsa05167; hsa05203; hsa05205; hsa05219; hsa05418 22.7%
6 SLC12A3 P55017 Solute carrier family 12 member 3 NA NA 21.2%
7 KCNN3 Q9UGI6 Small conductance calcium-activated potassium channel protein 3 hsa04911 NA 20.3%
8 NPR1 P16066 Atrial natriuretic peptide receptor 1 hsa00230; hsa04022; hsa04024; hsa04270; hsa04714; hsa04921; hsa04923; hsa04924; hsa04925 NA 19.2%
9 CHRNA9 Q9UGM1 Neuronal acetylcholine receptor subunit alpha-9 hsa04080 4D01; 4UXU; 4UY2 18.8%
10 GAPDHS O14556 Glyceraldehyde-3-phosphate dehydrogenase, testis-specific hsa00010; hsa01100 3H9E; 3PFW 18.2%
11 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL 18.0%
12 HSD11B1 P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 hsa00140; hsa00980; hsa01100; hsa05204 17.9%
13 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%
14 ARG1 P05089 Arginase-1 hsa00220; hsa00330; hsa01100; hsa01230; hsa05146 17.4%
15 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA 17.2%
16 ABO P16442 Histo-blood group ABO system transferase hsa00601; hsa01100 17.1%
17 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 16.9%
18 KCNN1 Q92952 Small conductance calcium-activated potassium channel protein 1 hsa04911 NA 16.5%
19 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 16.4%
20 KCNN4 O15554 Intermediate conductance calcium-activated potassium channel protein 4 hsa04911; hsa04970; hsa04974 NA 16.2%


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.


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.