QuartataWeb 1.0

30 known interactions (drugs) of input target (DHFR): Dihydrofolate reductase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Investigational	SmallMoleculeDrug	DB03695	Piritrexim	COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1
2	Approved; Investigational	SmallMoleculeDrug	DB01157	Trimetrexate	COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC
3	Experimental	SmallMoleculeDrug	DB07142	5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine	[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1
4	Experimental	SmallMoleculeDrug	DB08234	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine	CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC
5	Approved; Vet approved	SmallMoleculeDrug	DB00798	Gentamicin	CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1
6	Experimental	SmallMoleculeDrug	DB03125	2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium	COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC
7	Experimental	SmallMoleculeDrug	DB08642	(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine	[H][C@]1(CN(C)C2=CC(OC)=C(OC)C(OC)=C2)CCC2=C(C1)C(N)=N[C@]([H])(N)N2
8	Experimental	SmallMoleculeDrug	DB07140	5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine	[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1
9	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
10	Experimental	SmallMoleculeDrug	DB02919	2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine	COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC
11	Experimental	SmallMoleculeDrug	DB03987	2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine	COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1
12	Approved	SmallMoleculeDrug	DB01131	Proguanil	CC(C)\N=C(/N)N=C(N)NC1=CC=C(Cl)C=C1
13	Experimental	SmallMoleculeDrug	DB08448	(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol	[H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1
14	Experimental	SmallMoleculeDrug	DB03351	Sri-9439	CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12
15	Experimental	SmallMoleculeDrug	DB07141	5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine	[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1
16	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00205	Pyrimethamine	CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1
17	Experimental	SmallMoleculeDrug	DB03461	2'-Monophosphoadenosine 5'-Diphosphoribose	[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O
18	Experimental	SmallMoleculeDrug	DB07144	5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine	[H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C
19	Experimental	SmallMoleculeDrug	DB02583	N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine	COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1
20	Approved; Investigational	SmallMoleculeDrug	DB00642	Pemetrexed	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(CCC2=CNC3=C2C(O)=NC(=N)N3)C=C1)C(O)=O
21	Experimental	SmallMoleculeDrug	DB08406	[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE	NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1
22	Approved; Vet approved	SmallMoleculeDrug	DB00440	Trimethoprim	COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC
23	Investigational	SmallMoleculeDrug	DB06358	Iclaprim	COC1=CC(CC2=CN=C(N)N=C2N)=C2C=CC(OC2=C1OC)C1CC1
24	Experimental	SmallMoleculeDrug	DB02559	6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine	[H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2
25	Experimental	SmallMoleculeDrug	DB02427	2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline	COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1
26	Experimental	SmallMoleculeDrug	DB02104	2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine	COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1
27	Approved	SmallMoleculeDrug	DB00563	Methotrexate	CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
28	Experimental	SmallMoleculeDrug	DB03886	Biopterin	C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1
29	Approved; Investigational	SmallMoleculeDrug	DB06813	Pralatrexate	NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1
30	Experimental	SmallMoleculeDrug	DB03060	Sri-9662	COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1

20 predicted interactions (drugs) of input target (DHFR): Dihydrofolate reductase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00143	Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	39.0%
2	Approved	SmallMoleculeDrug	DB06637	Dalfampridine	NC1=CC=NC=C1	34.8%
3	Approved; Vet approved	SmallMoleculeDrug	DB08818	Hyaluronic acid	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O	32.0%
4	Approved	SmallMoleculeDrug	DB03147	Flavin adenine dinucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2	31.2%
5	Experimental	SmallMoleculeDrug	DB07771	[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID	CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O	28.6%
6	Approved; Nutraceutical	SmallMoleculeDrug	DB00172	L-Proline	OC(=O)[C@@H]1CCCN1	28.2%
7	Experimental	SmallMoleculeDrug	DB02494	Alpha-Hydroxy-Beta-Phenyl-Propionic Acid	[H][C@](O)(CC1=CC=CC=C1)C(O)=O	27.9%
8	Approved	SmallMoleculeDrug	DB01212	Ceftriaxone	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	27.8%
9	Experimental	SmallMoleculeDrug	DB08562	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	OC(=O)CCCC(=O)NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1	26.3%
10	Experimental	SmallMoleculeDrug	DB01863	Inositol 1,3,4,5-Tetrakisphosphate	O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O	25.2%
11	Approved; Investigational	SmallMoleculeDrug	DB00786	Marimastat	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C	24.6%
12	Approved	SmallMoleculeDrug	DB11157	Anthralin	OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2	24.3%
13	Experimental	SmallMoleculeDrug	DB02062	N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine	[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O	24.0%
14	Approved	SmallMoleculeDrug	DB00641	Simvastatin	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC	23.8%
15	Experimental	SmallMoleculeDrug	DB03059	Acetoacetyl-CoA	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N	23.4%
16	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	23.1%
17	Approved; Investigational	SmallMoleculeDrug	DB12965	Silver	[Ag]	23.1%
18	Illicit; Vet approved	SmallMoleculeDrug	DB01548	Diprenorphine	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O	22.8%
19	Withdrawn	SmallMoleculeDrug	DB04820	Nialamide	O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1	22.7%
20	Approved; Investigational	BiotechDrug	DB00030	Insulin Human	NA	22.6%