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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: DB01159
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Vet approved		 SmallMoleculeDrug DB01159 Halothane Thumb


32 known interactions (targets) of input drug (DB01159): Halothane
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 GABRD O14764 Gamma-aminobutyric acid receptor subunit delta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
3 GABRP O00591 Gamma-aminobutyric acid receptor subunit pi hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
4 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
5 RHO P08100 Rhodopsin hsa04744 4ZWJ
6 MT-ND1 P03886 NADH-ubiquinone oxidoreductase chain 1 hsa00190; hsa01100; hsa04714; hsa04723; hsa05012 NA
7 GABRG2 P18507 Gamma-aminobutyric acid receptor subunit gamma-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
8 NPSR1 Q6W5P4 Neuropeptide S receptor NA NA
9 KCNK9 Q9NPC2 Potassium channel subfamily K member 9 hsa04925 3P1N; 3P1O; 3P1P; 3P1Q; 3P1R; 3P1S; 3SMK; 3SML; 3SMM; 3SMN; 3SMO; 3SPR; 3UX0; 4FR3
10 ATP5D P30049 ATP synthase subunit delta, mitochondrial hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA
11 GABRE P78334 Gamma-aminobutyric acid receptor subunit epsilon hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
12 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA
13 GABRA2 P47869 Gamma-aminobutyric acid receptor subunit alpha-2 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
14 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
15 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
16 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
17 GRIN2A Q12879 Glutamate receptor ionotropic, NMDA 2A hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 3NFL
18 KCNK3 O14649 Potassium channel subfamily K member 3 hsa04925; hsa04927; hsa04934 NA
19 KCNN4 O15554 Intermediate conductance calcium-activated potassium channel protein 4 hsa04911; hsa04970; hsa04974 NA
20 KCNJ3 P48549 G protein-activated inward rectifier potassium channel 1 hsa04713; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04915; hsa04921; hsa05032 NA
21 GABRQ Q9UN88 Gamma-aminobutyric acid receptor subunit theta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
22 GABRG3 Q99928 Gamma-aminobutyric acid receptor subunit gamma-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
23 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA
24 GABRB2 P47870 Gamma-aminobutyric acid receptor subunit beta-2 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA
25 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T
26 GNG2 P59768 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 hsa04014; hsa04062; hsa04151; hsa04371; hsa04713; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04926; hsa05032; hsa05034; hsa05163; hsa05167; hsa05170; hsa05200 4KFM
27 GRIN3B O60391 Glutamate receptor ionotropic, NMDA 3B hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA
28 GABRG1 Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
29 KCNMA1 Q12791 Calcium-activated potassium channel subunit alpha-1 hsa04022; hsa04270; hsa04911; hsa04924; hsa04970; hsa04972 2K44; 3MT5; 3NAF
30 ATP2C1 P98194 Calcium-transporting ATPase type 2C member 1 NA NA
31 GABRB3 P28472 Gamma-aminobutyric acid receptor subunit beta-3 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 4COF
32 KCNJ6 P48051 G protein-activated inward rectifier potassium channel 2 hsa04713; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04915; hsa04921; hsa05032 NA


20 predicted interactions (targets) of input drug (DB01159): Halothane
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GABRR2 P28476 Gamma-aminobutyric acid receptor subunit rho-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 74.4%
2 GRIN2D O15399 Glutamate receptor ionotropic, NMDA 2D hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034 NA 73.0%
3 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 72.4%
4 GRIN2C Q14957 Glutamate receptor ionotropic, NMDA 2C hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034 NA 70.5%
5 TSPO P30536 Translocator protein hsa04080; hsa04979; hsa05166 NA 69.8%
6 GABRR3 A8MPY1 Gamma-aminobutyric acid receptor subunit rho-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 68.9%
7 GRIN1 Q05586 Glutamate receptor ionotropic, NMDA 1 hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034 2HQW; 2NR1; 3BYA 68.3%
8 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 66.5%
9 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM 66.1%
10 GRIA1 P42261 Glutamate receptor 1 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05031; hsa05033 NA 62.5%
11 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL 59.3%
12 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 54.7%
13 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 54.3%
14 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 53.0%
15 CALM1 P0DP23 Calmodulin NA 51.0%
16 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 49.4%
17 GLRA2 P23416 Glycine receptor subunit alpha-2 hsa04080 NA 49.1%
18 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 47.3%
19 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 46.5%
20 GLRA3 O75311 Glycine receptor subunit alpha-3 hsa04080 5CFB 42.7%


  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.