SCHEMBL6919164 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	5/20	0.53

▸	F2	P00734	13/20	0.51

▸	PRSS1	P07477	2/20	0.51

▸	F9	P00740	1/20	0.51

▸	F10	P00742	1/20	0.51

▸	PLAT	P00750	1/20	0.51

▸	F11	P03951	1/20	0.51

▸	KLKB1	P03952	1/20	0.51

▸	F7	P08709	1/20	0.51

▸	TBXA2R	P21731	1/20	0.51

▸	PRSS3	P35030	1/20	0.51

▸	KCNH2	Q12809	3/20	0.47

▸	F12	P00748	1/20	0.47

▸	MASP2	O00187	1/20	0.46

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
SCHEMBL6919168	1.00	CYP3A4 (0.53)	CYP3A4F2PRSS1F9F10
SCHEMBL6918584	0.89	F2 (0.50)	CYP3A4F2PRSS1F9F10
SCHEMBL6918590	0.89	F2 (0.50)	CYP3A4F2PRSS1F9F10
SCHEMBL6920597	0.87	CYP3A4 (0.49)	CYP3A4F2PRSS1F9F10
SCHEMBL6919938	0.86	CYP3A4 (0.57)	CYP3A4F2PRSS1F9F10
SCHEMBL6919000	0.86	CYP3A4 (0.57)	CYP3A4F2PRSS1F9F10
SCHEMBL6079191	0.85	F2 (0.60)	CYP3A4F2PRSS1F9F10
SCHEMBL6919707	0.85	CYP3A4 (0.52)	CYP3A4F2PRSS1F9F10
SCHEMBL4199134	0.83	CYP3A4 (0.56)	CYP3A4F2PRSS1F9F10
SCHEMBL4207051	0.83	CYP3A4 (0.56)	CYP3A4F2PRSS1F9F10

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
WO-2004032834-A2	THROMBIN INHIBITORS	MERCK & CO., INC. (US)	2004-04-22	—	—	WO	claimed
WO-2004032834-A2	THROMBIN INHIBITORS	MERCK & CO., INC. (US)	2004-04-22	—	—	WO	disclosed