QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P04275

No. Gene UniProt ID Protein Name Pathway PDB

1 VWF P04275 von Willebrand factor hsa04151; hsa04510; hsa04512; hsa04610; hsa04611; hsa05165
1AO3; 1ATZ; 1AUQ; 1FE8; 1FNS; 1IJB; 1IJK; 1M10; 1OAK; 1SQ0; 1U0N; 1UEX; 2ADF; 2MHP; 2MHQ; 3GXB; 3HXO; 3HXQ; 3PPV; 3PPW; 3PPX; 3PPY; 3ZQK; 4C29; 4C2A; 4C2B; 4DMU; 4NT5

9 known interactions (drugs) of input target (VWF): von Willebrand factor

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	BiotechDrug	DB11606	Susoctocog alfa	NA
2	Approved	BiotechDrug	DB09108	Simoctocog Alfa	NA
3	Approved	BiotechDrug	DB13999	Moroctocog alfa	NA
4	Approved; Investigational	BiotechDrug	DB13998	Lonoctocog alfa	NA
5	Approved; Investigational	BiotechDrug	DB09329	Antihemophilic Factor (Recombinant), PEGylated	NA
6	Investigational	SmallMoleculeDrug	DB06081	Caplacizumab	NA
7	Approved; Investigational	BiotechDrug	DB11607	Efmoroctocog alfa	NA
8	Approved; Investigational	BiotechDrug	DB00025	Antihemophilic factor, human recombinant	NA
9	Investigational	BiotechDrug	DB05202	Egaptivon pegol	NA

20 predicted interactions (drugs) of input target (VWF): von Willebrand factor

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB01327	Cefazolin	[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O	34.5%
2	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	31.1%
3	Approved	BiotechDrug	DB13192	Antihemophilic factor human	NA	27.5%
4	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	24.2%
5	Approved; Investigational	BiotechDrug	DB13923	Emicizumab	NA	24.0%
6	Approved; Investigational	BiotechDrug	DB09109	Turoctocog alfa	NA	22.2%
7	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00119	Pyruvic acid	CC(=O)C(O)=O	22.1%
8	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00167	L-Isoleucine	CC[C@H](C)[C@H](N)C(O)=O	21.5%
9	Approved; Investigational	SmallMoleculeDrug	DB00481	Raloxifene	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2	21.1%
10	Investigational	SmallMoleculeDrug	DB05131	TTP889	NA	20.7%
11	Approved; Nutraceutical	SmallMoleculeDrug	DB00125	L-Arginine	N[C@@H](CCCNC(N)=N)C(O)=O	20.2%
12	Approved; Investigational	BiotechDrug	DB13933	Nonacog beta pegol	NA	19.9%
13	Approved; Investigational	BiotechDrug	DB13150	Coagulation factor VII human	NA	19.6%
14	Approved	SmallMoleculeDrug	DB11093	Calcium Citrate	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O	18.9%
15	Approved	SmallMoleculeDrug	DB09285	Morniflumate	FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1	18.5%
16	Approved	SmallMoleculeDrug	DB09332	Kappadione	[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1	18.2%
17	Experimental	SmallMoleculeDrug	DB08746	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1	18.2%
18	Experimental	SmallMoleculeDrug	DB08231	Myristic acid	CCCCCCCCCCCCCC(O)=O	18.1%
19	Experimental	SmallMoleculeDrug	DB07630	N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE	[H][C@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2	18.0%
20	Approved	BiotechDrug	DB13152	Coagulation Factor IX Human	NA	17.5%