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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: DB11582
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB11582 Thiocolchicoside Thumb


18 known interactions (targets) of input drug (DB11582): Thiocolchicoside
No. Gene UniProt ID Protein Name Pathway PDB
1 GABRA5 P31644 Gamma-aminobutyric acid receptor subunit alpha-5 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
2 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T
3 GABRD O14764 Gamma-aminobutyric acid receptor subunit delta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
4 GABRP O00591 Gamma-aminobutyric acid receptor subunit pi hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
5 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
6 GABRE P78334 Gamma-aminobutyric acid receptor subunit epsilon hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
7 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
8 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA
9 GABRA2 P47869 Gamma-aminobutyric acid receptor subunit alpha-2 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
10 GABRG1 Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
11 GABRQ Q9UN88 Gamma-aminobutyric acid receptor subunit theta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
12 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
13 GABRG2 P18507 Gamma-aminobutyric acid receptor subunit gamma-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
14 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
15 GABRB2 P47870 Gamma-aminobutyric acid receptor subunit beta-2 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA
16 TNFSF11 O14788 Tumor necrosis factor ligand superfamily member 11 hsa04060; hsa04064; hsa04380; hsa04917; hsa04928; hsa05224; hsa05323 3URF; 5BNQ
17 GABRB3 P28472 Gamma-aminobutyric acid receptor subunit beta-3 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 4COF
18 GABRG3 Q99928 Gamma-aminobutyric acid receptor subunit gamma-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA


20 predicted interactions (targets) of input drug (DB11582): Thiocolchicoside
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 77.0%
2 GABRR2 P28476 Gamma-aminobutyric acid receptor subunit rho-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 73.9%
3 GABRR3 A8MPY1 Gamma-aminobutyric acid receptor subunit rho-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 72.0%
4 TSPO P30536 Translocator protein hsa04080; hsa04979; hsa05166 NA 68.7%
5 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM 59.4%
6 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 58.3%
7 ATP5D P30049 ATP synthase subunit delta, mitochondrial hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 55.9%
8 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 54.7%
9 ATP2C1 P98194 Calcium-transporting ATPase type 2C member 1 NA NA 52.5%
10 GLRA2 P23416 Glycine receptor subunit alpha-2 hsa04080 NA 50.9%
11 GRIA1 P42261 Glutamate receptor 1 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05031; hsa05033 NA 50.3%
12 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 50.3%
13 MT-ND1 P03886 NADH-ubiquinone oxidoreductase chain 1 hsa00190; hsa01100; hsa04714; hsa04723; hsa05012 NA 46.4%
14 GLRA3 O75311 Glycine receptor subunit alpha-3 hsa04080 5CFB 43.5%
15 GLRB P48167 Glycine receptor subunit beta hsa04080 NA 41.5%
16 GRIN2B Q13224 Glutamate receptor ionotropic, NMDA 2B hsa04014; hsa04015; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 1S11; 1S2S; 2IPV 41.2%
17 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL 39.9%
18 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA 34.6%
19 KCNN4 O15554 Intermediate conductance calcium-activated potassium channel protein 4 hsa04911; hsa04970; hsa04974 NA 34.1%
20 GRIN3B O60391 Glutamate receptor ionotropic, NMDA 3B hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 33.0%


  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.