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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: P00374
No. Gene UniProt ID Protein Name Pathway PDB
1 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523

30 known interactions (drugs) of input target (DHFR): Dihydrofolate reductase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Investigational SmallMoleculeDrug DB03695 Piritrexim Thumb
2 Approved;
SmallMoleculeDrug DB01157 Trimetrexate Thumb
3 Experimental SmallMoleculeDrug DB07142 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine Thumb
4 Experimental SmallMoleculeDrug DB08234 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine Thumb
5 Approved;
Vet approved
SmallMoleculeDrug DB00798 Gentamicin Thumb
6 Experimental SmallMoleculeDrug DB03125 2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium Thumb
7 Experimental SmallMoleculeDrug DB08642 (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine Thumb
8 Experimental SmallMoleculeDrug DB07140 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine Thumb
9 Approved;
SmallMoleculeDrug DB00157 NADH Thumb
10 Experimental SmallMoleculeDrug DB02919 2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine Thumb
11 Experimental SmallMoleculeDrug DB03987 2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine Thumb
12 Approved SmallMoleculeDrug DB01131 Proguanil Thumb
13 Experimental SmallMoleculeDrug DB08448 (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol Thumb
14 Experimental SmallMoleculeDrug DB03351 Sri-9439 Thumb
15 Experimental SmallMoleculeDrug DB07141 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine Thumb
16 Approved;
Vet approved
SmallMoleculeDrug DB00205 Pyrimethamine Thumb
17 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb
18 Experimental SmallMoleculeDrug DB07144 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine Thumb
19 Experimental SmallMoleculeDrug DB02583 N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine Thumb
20 Approved;
SmallMoleculeDrug DB00642 Pemetrexed Thumb
21 Experimental SmallMoleculeDrug DB08406 [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE Thumb
22 Approved;
Vet approved
SmallMoleculeDrug DB00440 Trimethoprim Thumb
23 Investigational SmallMoleculeDrug DB06358 Iclaprim Thumb
24 Experimental SmallMoleculeDrug DB02559 6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine Thumb
25 Experimental SmallMoleculeDrug DB02427 2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline Thumb
26 Experimental SmallMoleculeDrug DB02104 2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine Thumb
27 Approved SmallMoleculeDrug DB00563 Methotrexate Thumb
28 Experimental SmallMoleculeDrug DB03886 Biopterin Thumb
29 Approved;
SmallMoleculeDrug DB06813 Pralatrexate Thumb
30 Experimental SmallMoleculeDrug DB03060 Sri-9662 Thumb

20 predicted interactions (drugs) of input target (DHFR): Dihydrofolate reductase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
SmallMoleculeDrug DB00143 Glutathione Thumb 39.0%
2 Approved SmallMoleculeDrug DB06637 Dalfampridine Thumb 34.8%
3 Approved;
Vet approved
SmallMoleculeDrug DB08818 Hyaluronic acid Thumb 32.0%
4 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb 31.2%
5 Experimental SmallMoleculeDrug DB07771 [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID Thumb 28.6%
6 Approved;
SmallMoleculeDrug DB00172 L-Proline Thumb 28.2%
7 Experimental SmallMoleculeDrug DB02494 Alpha-Hydroxy-Beta-Phenyl-Propionic Acid Thumb 27.9%
8 Approved SmallMoleculeDrug DB01212 Ceftriaxone Thumb 27.8%
9 Experimental SmallMoleculeDrug DB08562 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID Thumb 26.3%
10 Experimental SmallMoleculeDrug DB01863 Inositol 1,3,4,5-Tetrakisphosphate Thumb 25.2%
11 Approved;
SmallMoleculeDrug DB00786 Marimastat Thumb 24.6%
12 Approved SmallMoleculeDrug DB11157 Anthralin Thumb 24.3%
13 Experimental SmallMoleculeDrug DB02062 N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine Thumb 24.0%
14 Approved SmallMoleculeDrug DB00641 Simvastatin Thumb 23.8%
15 Experimental SmallMoleculeDrug DB03059 Acetoacetyl-CoA Thumb 23.4%
16 Investigational BiotechDrug DB06245 Lanoteplase Thumb 23.1%
17 Approved;
SmallMoleculeDrug DB12965 Silver Thumb 23.1%
18 Illicit;
Vet approved
SmallMoleculeDrug DB01548 Diprenorphine Thumb 22.8%
19 Withdrawn SmallMoleculeDrug DB04820 Nialamide Thumb 22.7%
20 Approved;
BiotechDrug DB00030 Insulin Human Thumb 22.6%


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.