QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P05121

No. Gene UniProt ID Protein Name Pathway PDB

1 SERPINE1 P05121 Plasminogen activator inhibitor 1 hsa04066; hsa04115; hsa04218; hsa04371; hsa04390; hsa04610; hsa04933; hsa05142
1A7C; 1B3K; 1C5G; 1DB2; 1DVM; 1DVN; 1LJ5; 1OC0; 3CVM; 3EOX; 3PB1; 3Q02; 3Q03; 3R4L; 3UT3; 4AQH; 4G8O; 4G8R; 4IC0; 5BRR; 9PAI

9 known interactions (drugs) of input target (SERPINE1): Plasminogen activator inhibitor 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational; Withdrawn	BiotechDrug	DB00013	Urokinase	NA
2	Approved	BiotechDrug	DB00029	Anistreplase	NA
3	Approved	BiotechDrug	DB00009	Alteplase	NA
4	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]
5	Investigational	BiotechDrug	DB05254	Fibrinolysin	NA
6	Approved; Investigational; Withdrawn	BiotechDrug	DB00055	Drotrecogin alfa	NA
7	Approved; Investigational	BiotechDrug	DB00015	Reteplase	NA
8	Approved	BiotechDrug	DB00031	Tenecteplase	NA
9	Investigational; Withdrawn	SmallMoleculeDrug	DB00197	Troglitazone	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O

20 predicted interactions (drugs) of input target (SERPINE1): Plasminogen activator inhibitor 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	47.8%
2	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	47.0%
3	Investigational	SmallMoleculeDrug	DB05476	WX-UK1	Cl.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C	35.8%
4	Investigational	BiotechDrug	DB04925	Desmoteplase	NA	34.3%
5	Approved; Investigational; Withdrawn	BiotechDrug	DB06692	Aprotinin	NA	30.3%
6	Investigational	SmallMoleculeDrug	DB05961	PPL-100	COC(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1	30.0%
7	Approved	SmallMoleculeDrug	DB00302	Tranexamic Acid	NC[C@H]1CC[C@@H](CC1)C(O)=O	28.7%
8	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4	27.4%
9	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1	26.1%
10	Investigational	SmallMoleculeDrug	DB12831	Gabexate	CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1	26.0%
11	Approved; Investigational	SmallMoleculeDrug	DB00513	Aminocaproic Acid	NCCCCCC(O)=O	24.8%
12	Approved; Nutraceutical	SmallMoleculeDrug	DB00129	Ornithine	NCCC[C@H](N)C(O)=O	23.9%
13	Approved	BiotechDrug	DB11311	Prothrombin	NA	23.8%
14	Experimental	SmallMoleculeDrug	DB03709	Bicine	OCCN(CCO)CC(O)=O	23.8%
15	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA	23.3%
16	Approved; Investigational	BiotechDrug	DB00086	Streptokinase	NA	23.0%
17	Investigational	SmallMoleculeDrug	DB05413	Tifuvirtide	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	23.0%
18	Approved	SmallMoleculeDrug	DB00364	Sucralfate	O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O	21.6%
19	Experimental	SmallMoleculeDrug	DB08231	Myristic acid	CCCCCCCCCCCCCC(O)=O	21.4%
20	Approved; Investigational	BiotechDrug	DB13151	Anti-inhibitor coagulant complex	NA	20.7%