SCHEMBL7350869 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.35

▸	CTNNB1	P35222	5/20	0.34

▸	TCF4	P15884	2/20	0.34

▸	CDH1	P12830	1/20	0.34

▸	TCF7L2	Q9NQB0	1/20	0.34

▸	HTR2A	P28223	1/20	0.31

▸	HTR2C	P28335	1/20	0.31

▸	HTR2B	P41595	1/20	0.31

▸	KMO	O15229	1/20	0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL475336	0.76	TRPA1 (0.36)	CYP1A2CTNNB1
SCHEMBL16617337	0.76	CYP1A2 (0.32)	CYP1A2
SCHEMBL20719525	0.76	CYP1A2 (0.32)	CYP1A2
SCHEMBL5400766	0.76	CYP1A2 (0.32)	CYP1A2
SCHEMBL16617402	0.76	CYP1A2 (0.42)	CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL3482763	0.74	CYP1A2 (0.45)	CYP1A2HTR2AHTR2CHTR2BKMO
Water SCHEMBL2123597	0.74	CYP1A2 (0.47)	CYP1A2CTNNB1TCF4CDH1TCF7L2
SCHEMBL16097020	0.73	CYP1A2 (0.30)	CYP1A2
SCHEMBL16616808	0.73	CYP1A2 (0.37)	CYP1A2
SCHEMBL2466268	0.73	CHEK1 (0.40)	KMO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0991638-A1	NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS	Du Pont Pharmaceuticals Company (US)	2000-04-12	—	—	EP	claimed
WO-1998057951-A1	NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS	DU PONT PHARMACEUTICALS COMPANY (US)	1998-12-23	—	—	WO	claimed