QuartataWeb 1.0

12 known interactions (drugs) of input target (ERBB2): Receptor tyrosine-protein kinase erbB-2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	BiotechDrug	DB00072	Trastuzumab	NA
2	Approved; Investigational	BiotechDrug	DB05773	Trastuzumab emtansine	NA
3	Investigational	SmallMoleculeDrug	DB05944	Varlitinib	C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1
4	Approved; Investigational	SmallMoleculeDrug	DB01259	Lapatinib	CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1
5	Investigational	BiotechDrug	DB04988	IGN311	NA
6	Investigational	SmallMoleculeDrug	DB06021	AV-412	CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1
7	Approved	SmallMoleculeDrug	DB08916	Afatinib	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1
8	Investigational	SmallMoleculeDrug	DB11652	Tucatinib	CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1
9	Approved	BiotechDrug	DB06366	Pertuzumab	NA
10	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
11	Investigational	SmallMoleculeDrug	DB11973	Tesevatinib	COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1
12	Approved; Investigational	SmallMoleculeDrug	DB12267	Brigatinib	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1

20 predicted interactions (drugs) of input target (ERBB2): Receptor tyrosine-protein kinase erbB-2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	BiotechDrug	DB00002	Cetuximab	NA	45.2%
2	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	38.2%
3	Approved; Investigational	BiotechDrug	DB09559	Necitumumab	NA	35.4%
4	Approved; Investigational	SmallMoleculeDrug	DB08901	Ponatinib	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1	35.4%
5	Approved; Vet approved	SmallMoleculeDrug	DB00281	Lidocaine	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C	35.3%
6	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA	35.0%
7	Investigational	SmallMoleculeDrug	DB05424	Canertinib	FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1	34.4%
8	Investigational	SmallMoleculeDrug	DB05374	Rindopepimut	NA	33.2%
9	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O	32.4%
10	Experimental	SmallMoleculeDrug	DB02379	Beta-D-Glucose	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	31.8%
11	Approved; Investigational	SmallMoleculeDrug	DB13164	Olmutinib	CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1	31.5%
12	Approved; Investigational	SmallMoleculeDrug	DB00317	Gefitinib	COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1	30.3%
13	Investigational	BiotechDrug	DB05101	Matuzumab	NA	30.2%
14	Approved; Investigational	SmallMoleculeDrug	DB11828	Neratinib	CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N	29.2%
15	Approved	SmallMoleculeDrug	DB08896	Regorafenib	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1	28.2%
16	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	28.2%
17	Approved; Investigational	SmallMoleculeDrug	DB11737	Icotinib	C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1	27.9%
18	Experimental	SmallMoleculeDrug	DB07602	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE	[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O	27.7%
19	Approved	SmallMoleculeDrug	DB00514	Dextromethorphan	[H][C@]12CC3=C(C=C(OC)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C	26.6%
20	Investigational	SmallMoleculeDrug	DB05524	Pelitinib	CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N	26.1%