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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: DB00825
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB00825 Menthol Thumb


12 known interactions (targets) of input drug (DB00825): Menthol
No. Gene UniProt ID Protein Name Pathway PDB
1 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ
2 CACNB4 O00305 Voltage-dependent L-type calcium channel subunit beta-4 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 1VYV; 2D46
3 TRPA1 O75762 Transient receptor potential cation channel subfamily A member 1 hsa04750 3J9P
4 CACNA1S Q13698 Voltage-dependent L-type calcium channel subunit alpha-1S hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04723; hsa04725; hsa04726; hsa04727; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04934; hsa05010; hsa05410; hsa05412; hsa05414 2VAY
5 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH
6 TRPM8 Q7Z2W7 Transient receptor potential cation channel subfamily M member 8 hsa04750 NA
7 CACNA1D Q01668 Voltage-dependent L-type calcium channel subunit alpha-1D hsa04010; hsa04020; hsa04022; hsa04024; hsa04218; hsa04260; hsa04261; hsa04270; hsa04530; hsa04713; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa04973; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 3LV3
8 CACNB3 P54284 Voltage-dependent L-type calcium channel subunit beta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
9 CACNA1F O60840 Voltage-dependent L-type calcium channel subunit alpha-1F hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04723; hsa04725; hsa04726; hsa04727; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04934; hsa05010; hsa05410; hsa05412; hsa05414 NA
10 CACNB2 Q08289 Voltage-dependent L-type calcium channel subunit beta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
11 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
12 TRPV3 Q8NET8 Transient receptor potential cation channel subfamily V member 3 hsa04750 NA


20 predicted interactions (targets) of input drug (DB00825): Menthol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 71.9%
2 CACNA1I Q9P0X4 Voltage-dependent T-type calcium channel subunit alpha-1I hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 68.1%
3 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 63.8%
4 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 59.6%
5 CACNA2D1 P54289 Voltage-dependent calcium channel subunit alpha-2/delta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 59.2%
6 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 56.5%
7 CACNA1B Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B hsa04010; hsa04020; hsa04721; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04930; hsa05032; hsa05033 2LCM 52.9%
8 TRPV1 Q8NER1 Transient receptor potential cation channel subfamily V member 1 hsa04080; hsa04750 NA 48.5%
9 CACNG1 Q06432 Voltage-dependent calcium channel gamma-1 subunit hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 48.2%
10 CACNA1A O00555 Voltage-dependent P/Q-type calcium channel subunit alpha-1A hsa04010; hsa04020; hsa04721; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04742; hsa04930; hsa05032; hsa05033 3BXK 47.7%
11 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 43.1%
12 CACNA2D3 Q8IZS8 Voltage-dependent calcium channel subunit alpha-2/delta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 41.9%
13 TRPV2 Q9Y5S1 Transient receptor potential cation channel subfamily V member 2 hsa04621; hsa04750 2F37 39.1%
14 CACNB1 Q6TME4 Voltage-dependent L-type calcium channel subunit beta-1 NA NA 34.8%
15 VDAC1 P21796 Voltage-dependent anion-selective channel protein 1 hsa04020; hsa04022; hsa04217; hsa04218; hsa04621; hsa04979; hsa05012; hsa05016; hsa05164; hsa05166 2JK4; 2K4T 33.6%
16 CNR2 P34972 Cannabinoid receptor 2 hsa04080 2KI9 33.3%
17 GPR55 Q9Y2T6 G-protein coupled receptor 55 NA NA 32.8%
18 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 32.0%
19 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 31.6%
20 CNR1 P21554 Cannabinoid receptor 1 hsa04015; hsa04080; hsa04714; hsa04723 1LVQ; 1LVR; 2B0Y; 2KOE 31.5%



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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.