QuartataWeb 1.0

11 known interactions (drugs) of input target (NQO1): NAD(P)H dehydrogenase [quinone] 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved	SmallMoleculeDrug	DB00266	Dicoumarol	OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2
2	Experimental	SmallMoleculeDrug	DB01927	Duroquinone	CC1=C(C)C(=O)C(C)=C(C)C1=O
3	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
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00170	Menadione	CC1=CC(=O)C2=CC=CC=C2C1=O
5	Experimental	SmallMoleculeDrug	DB03626	5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione	COC1=CC(=O)C2=C(C(COC3=CC=CC=C3)=C(C)N2C)C1=O
6	Experimental	SmallMoleculeDrug	DB07385	3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE	[H][C@@]1(C)C[N@@]1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O
7	Experimental	SmallMoleculeDrug	DB02633	Cibacron Blue	NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O
8	Experimental	SmallMoleculeDrug	DB02400	5-Methoxy-1,2-Dimethyl-3-(4-Nitrophenoxymethyl)Indole-4,7-Dione	COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O
9	Experimental	SmallMoleculeDrug	DB04392	Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]	[H][C@@]1(C[C@@]2([H])C(=O)OC3=C(C=CC=C3)C2=O)C(=O)OC2=CC=CC=C2C1=O
10	Experimental	SmallMoleculeDrug	DB02395	3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol	CN1C(CCCO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O
11	Experimental; Investigational	SmallMoleculeDrug	DB04090	RH-1	CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O

20 predicted interactions (drugs) of input target (NQO1): NAD(P)H dehydrogenase [quinone] 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	40.0%
2	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	37.1%
3	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	35.6%
4	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O	34.7%
5	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	30.4%
6	Approved	SmallMoleculeDrug	DB00277	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	29.8%
7	Approved	SmallMoleculeDrug	DB09283	Trapidil	CCN(CC)C1=CC(C)=NC2=NC=NN12	27.9%
8	Approved; Nutraceutical	SmallMoleculeDrug	DB00168	Aspartame	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O	27.5%
9	Approved; Investigational	SmallMoleculeDrug	DB00799	Tazarotene	CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1	25.8%
10	Experimental	SmallMoleculeDrug	DB02010	Staurosporine	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC	25.8%
11	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00755	Tretinoin	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O	25.5%
12	Approved; Investigational	SmallMoleculeDrug	DB00464	Sodium Tetradecyl Sulfate	[Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O	25.2%
13	Approved	SmallMoleculeDrug	DB09332	Kappadione	[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1	24.6%
14	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	24.3%
15	Approved; Investigational	SmallMoleculeDrug	DB09462	Glycerin	OCC(O)CO	23.1%
16	Approved; Investigational	BiotechDrug	DB00100	Coagulation Factor IX (Recombinant)	NA	23.0%
17	Experimental	SmallMoleculeDrug	DB04674	2-HYDROXY-3,5-DIIODOBENZOIC ACID	OC(=O)C1=C(O)C(I)=CC(I)=C1	22.7%
18	Approved	BiotechDrug	DB00098	Antithymocyte immunoglobulin (rabbit)	NA	22.1%
19	Approved; Investigational	SmallMoleculeDrug	DB04942	Tamibarotene	CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2	22.0%
20	Approved	SmallMoleculeDrug	DB00210	Adapalene	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2	21.7%