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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: P29475
No. Gene UniProt ID Protein Name Pathway PDB
1 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI

25 known interactions (drugs) of input target (NOS1): Nitric oxide synthase, brain
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB03892 5-N-Allyl-Arginine Thumb
2 Experimental SmallMoleculeDrug DB03449 N-(4-(2-((3-Chlorophenylmethyl)Amino)Ethyl)Phenyl)-2-Thiophecarboxamidine Thumb
3 Approved;
Vet approved
SmallMoleculeDrug DB01221 Ketamine Thumb
4 Experimental SmallMoleculeDrug DB02143 N-Isopropyl-N'-Hydroxyguanidine Thumb
5 Experimental SmallMoleculeDrug DB02077 L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Thumb
6 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb
7 Experimental;
SmallMoleculeDrug DB04223 Nitroarginine Thumb
8 Approved;
SmallMoleculeDrug DB01942 Formic Acid Thumb
9 Experimental SmallMoleculeDrug DB01821 L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Thumb
10 Approved;
SmallMoleculeDrug DB03247 Flavin mononucleotide Thumb
11 Investigational SmallMoleculeDrug DB06096 NXN-188 Thumb
12 Experimental SmallMoleculeDrug DB02044 N-(3-(Aminomethyl)Benzyl)Acetamidine Thumb
13 Experimental SmallMoleculeDrug DB02644 N-Omega-Propyl-L-Arginine Thumb
14 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb
15 Experimental SmallMoleculeDrug DB03707 S-Ethyl-N-Phenyl-Isothiourea Thumb
16 Experimental SmallMoleculeDrug DB01997 3-Bromo-7-Nitroindazole Thumb
17 Experimental SmallMoleculeDrug DB02027 N-{(4s)-4-Amino-5-[(2-Aminoethyl)Amino]Pentyl}-N'-Nitroguanidine Thumb
18 Experimental SmallMoleculeDrug DB02727 N-Butyl-N'-Hydroxyguanidine Thumb
19 Experimental SmallMoleculeDrug DB08019 N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine Thumb
20 Experimental SmallMoleculeDrug DB03144 N-Omega-Hydroxy-L-Arginine Thumb
21 Experimental SmallMoleculeDrug DB02991 S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea Thumb
22 Approved;
SmallMoleculeDrug DB00155 L-Citrulline Thumb
23 Approved;
SmallMoleculeDrug DB09241 Methylene blue Thumb
24 Experimental SmallMoleculeDrug DB08018 N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE Thumb
25 Experimental SmallMoleculeDrug DB03710 N5-(1-Imino-3-Butenyl)-L-Ornithine Thumb

20 predicted interactions (drugs) of input target (NOS1): Nitric oxide synthase, brain
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Vet approved
SmallMoleculeDrug DB01110 Miconazole Thumb 47.4%
2 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 40.7%
3 Approved;
SmallMoleculeDrug DB09130 Copper Thumb 38.2%
4 Approved;
Vet approved
SmallMoleculeDrug DB00145 Glycine Thumb 37.3%
5 Experimental SmallMoleculeDrug DB01686 N,N-dimethylarginine Thumb 33.7%
6 Experimental SmallMoleculeDrug DB02994 Cacodylic acid Thumb 33.6%
7 Experimental;
SmallMoleculeDrug DB04216 Quercetin Thumb 32.4%
8 Experimental SmallMoleculeDrug DB07244 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE Thumb 31.7%
9 Experimental SmallMoleculeDrug DB01833 L-2-Amino-4-(Guanidinooxy)Butyric Acid Thumb 31.4%
10 Experimental SmallMoleculeDrug DB02207 7-Nitroindazole Thumb 31.4%
11 Approved;
SmallMoleculeDrug DB03796 Palmitic Acid Thumb 30.7%
12 Experimental SmallMoleculeDrug DB03100 6-Nitroindazole Thumb 30.6%
13 Approved;
SmallMoleculeDrug DB00360 Sapropterin Thumb 30.3%
14 Experimental SmallMoleculeDrug DB03065 7-Nitroindazole-2-Carboxamidine Thumb 29.2%
15 Approved;
Vet approved
SmallMoleculeDrug DB00721 Procaine Thumb 29.2%
16 Experimental SmallMoleculeDrug DB02979 N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane Thumb 29.0%
17 Approved;
BiotechDrug DB12023 Benralizumab Thumb 28.7%
18 Experimental SmallMoleculeDrug DB02589 Se-Ethyl-Isoselenourea Thumb 28.1%
19 Approved;
SmallMoleculeDrug DB01069 Promethazine Thumb 28.0%
20 Experimental SmallMoleculeDrug DB07001 (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine Thumb 27.8%


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.