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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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q05586
No. Gene UniProt ID Protein Name Pathway PDB
1 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


24 known interactions (drugs) of input target (GRIN1): Glutamate receptor ionotropic, NMDA 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB00996 Gabapentin Thumb
2 Experimental SmallMoleculeDrug DB04620 Cycloleucine Thumb
3 Approved;
Investigational;
Withdrawn
SmallMoleculeDrug DB08954 Ifenprodil Thumb
4 Approved;
Investigational
SmallMoleculeDrug DB09481 Magnesium carbonate Thumb
5 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB00312 Pentobarbital Thumb
6 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB03929 D-Serine Thumb
7 Approved SmallMoleculeDrug DB00454 Pethidine Thumb
8 Approved;
Investigational
SmallMoleculeDrug DB06738 Ketobemidone Thumb
9 Approved;
Vet approved
SmallMoleculeDrug DB00418 Secobarbital Thumb
10 Approved SmallMoleculeDrug DB00289 Atomoxetine Thumb
11 Approved;
Investigational
SmallMoleculeDrug DB01043 Memantine Thumb
12 Approved;
Investigational
SmallMoleculeDrug DB00659 Acamprosate Thumb
13 Approved;
Investigational
SmallMoleculeDrug DB01174 Phenobarbital Thumb
14 Approved SmallMoleculeDrug DB13146 Fluciclovine (18F) Thumb
15 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB01708 Prasterone Thumb
16 Approved SmallMoleculeDrug DB09409 Magnesium acetate tetrahydrate Thumb
17 Investigational SmallMoleculeDrug DB06741 Gavestinel Thumb
18 Investigational SmallMoleculeDrug DB05824 CNS-5161 Thumb
19 Approved;
Nutraceutical
SmallMoleculeDrug DB00142 Glutamic Acid Thumb
20 Approved SmallMoleculeDrug DB01173 Orphenadrine Thumb
21 Experimental;
Investigational
SmallMoleculeDrug DB08838 Agmatine Thumb
22 Approved;
Investigational
SmallMoleculeDrug DB06151 Acetylcysteine Thumb
23 Experimental SmallMoleculeDrug DB01931 Dcka, 5,7-Dichlorokynurenic Acid Thumb
24 Approved;
Investigational
SmallMoleculeDrug DB04896 Milnacipran Thumb


20 predicted interactions (drugs) of input target (GRIN1): Glutamate receptor ionotropic, NMDA 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Experimental;
Illicit;
Investigational
SmallMoleculeDrug DB01520 Tenocyclidine Thumb 73.7%
2 Approved;
Vet approved
SmallMoleculeDrug DB01159 Halothane Thumb 68.3%
3 Approved SmallMoleculeDrug DB00949 Felbamate Thumb 63.8%
4 Approved;
Nutraceutical
SmallMoleculeDrug DB01956 Taurine Thumb 61.7%
5 Approved SmallMoleculeDrug DB00392 Ethopropazine Thumb 48.4%
6 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 46.1%
7 Approved SmallMoleculeDrug DB00502 Haloperidol Thumb 45.6%
8 Investigational SmallMoleculeDrug DB05956 EVT-101 Thumb 42.6%
9 Approved;
Nutraceutical;
Vet approved
SmallMoleculeDrug DB00145 Glycine Thumb 42.5%
10 Approved SmallMoleculeDrug DB00915 Amantadine Thumb 42.1%
11 Illicit SmallMoleculeDrug DB03575 Phencyclidine Thumb 41.3%
12 Withdrawn SmallMoleculeDrug DB00463 Metharbital Thumb 40.9%
13 Approved;
Vet approved
SmallMoleculeDrug DB00599 Thiopental Thumb 39.5%
14 Illicit;
Investigational
SmallMoleculeDrug DB05047 CX717 Thumb 39.4%
15 Approved;
Vet approved
SmallMoleculeDrug DB00753 Isoflurane Thumb 37.7%
16 Approved;
Investigational
SmallMoleculeDrug DB00555 Lamotrigine Thumb 36.7%
17 Approved SmallMoleculeDrug DB00849 Methylphenobarbital Thumb 36.6%
18 Approved;
Illicit
SmallMoleculeDrug DB01352 Aprobarbital Thumb 36.5%
19 Approved SmallMoleculeDrug DB01355 Hexobarbital Thumb 36.2%
20 Approved;
Illicit
SmallMoleculeDrug DB00237 Butabarbital Thumb 35.7%



  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.