QuartataWeb 1.0

14 known interactions (drugs) of input target (TOP1): DNA topoisomerase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Investigational	SmallMoleculeDrug	DB05129	Elsamitrucin	CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O
2	Approved; Investigational	SmallMoleculeDrug	DB04967	Lucanthone	CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1
3	Investigational	SmallMoleculeDrug	DB06159	Rubitecan	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C4=CC=CC=C4N=C13)[N+]([O-])=O)C2=O
4	Investigational	SmallMoleculeDrug	DB05482	7-ethyl-10-hydroxycamptothecin	CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
5	Investigational	SmallMoleculeDrug	DB05806	Cositecan	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O
6	Approved	SmallMoleculeDrug	DB11254	Hexylresorcinol	CCCCCCC1=C(O)C=C(O)C=C1
7	Approved; Investigational	SmallMoleculeDrug	DB00762	Irinotecan	CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=C1C=C(OC(=O)N1CCC(CC1)N1CCCCC1)C=C2
8	Experimental	SmallMoleculeDrug	DB07354	2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM	COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1
9	Approved; Investigational	SmallMoleculeDrug	DB05630	Sodium stibogluconate	O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO
10	Investigational	SmallMoleculeDrug	DB04882	Edotecarin	OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O
11	Experimental	SmallMoleculeDrug	DB04690	Camptothecin	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
12	Investigational	SmallMoleculeDrug	DB06069	XMT-1001	NA
13	Approved; Investigational	SmallMoleculeDrug	DB01030	Topotecan	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O
14	Experimental	SmallMoleculeDrug	DB08159	4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE	OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O

20 predicted interactions (drugs) of input target (TOP1): DNA topoisomerase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	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	38.6%
2	Approved; Vet approved	SmallMoleculeDrug	DB00819	Acetazolamide	CC(=O)NC1=NN=C(S1)S(N)(=O)=O	26.7%
3	Approved; Investigational	SmallMoleculeDrug	DB09462	Glycerin	OCC(O)CO	25.8%
4	Approved	SmallMoleculeDrug	DB06616	Bosutinib	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl	24.7%
5	Approved; Investigational	BiotechDrug	DB00020	Sargramostim	NA	22.1%
6	Experimental	SmallMoleculeDrug	DB03185	1-Beta-Ribofuranosyl-1,3-Diazepinone	[H][C@]1(CO)O[C@@]([H])(N2C=CC=CNC2=O)[C@]([H])(O)[C@]1([H])O	21.9%
7	Approved; Nutraceutical	SmallMoleculeDrug	DB00127	Spermine	NCCCNCCCCNCCCN	21.7%
8	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	21.2%
9	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB01065	Melatonin	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1	20.6%
10	Approved; Investigational	SmallMoleculeDrug	DB01083	Orlistat	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O	20.3%
11	Approved; Withdrawn	SmallMoleculeDrug	DB00431	Lindane	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl	20.0%
12	Approved; Experimental; Investigational	SmallMoleculeDrug	DB01942	Formic Acid	OC=O	19.5%
13	Approved	SmallMoleculeDrug	DB00213	Pantoprazole	COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1	19.4%
14	Approved; Nutraceutical	SmallMoleculeDrug	DB00139	Succinic acid	OC(=O)CCC(O)=O	19.1%
15	Experimental	SmallMoleculeDrug	DB07768	(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE	[H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C	19.1%
16	Experimental	SmallMoleculeDrug	DB06849	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine	NCC1=CC2=C(OCC22CCN(CC2)C(=O)\C=C\C2=CC=CC=C2)C=C1	18.8%
17	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00685	Trovafloxacin	[H][C@@]12CN(C[C@]1([H])[C@H]2N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=C(F)C=C(F)C=C1)C(O)=O	18.8%
18	Experimental; Illicit	SmallMoleculeDrug	DB01536	Androstenedione	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	18.7%
19	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	18.5%
20	Experimental	SmallMoleculeDrug	DB08491	N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE	ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	18.2%