SCHEMBL762929 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	9/20	0.41

▸	HRH1	P35367	8/20	0.40

▸	CYP2D6	P10635	6/20	0.40

▸	AGTR2	P50052	3/20	0.39

▸	AGTR1	P30556	2/20	0.39

▸	CHRM1	P11229	3/20	0.38

▸	DRD2	P14416	1/20	0.38

▸	TBXA2R	P21731	1/20	0.38

▸	PROKR1	Q8TCW9	2/20	0.38

▸	CYP3A4	P08684	1/20	0.37

▸	OPRK1	P41145	1/20	0.37

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
SCHEMBL763306	0.94	KCNH2 (0.41)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL763250	0.93	KCNH2 (0.39)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL763247	0.93	KCNH2 (0.39)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL762884	0.91	KCNH2 (0.45)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL739761	0.89	AGTR2 (0.38)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL739762	0.89	AGTR2 (0.38)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL741332	0.86	HRH1 (0.39)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL741331	0.86	HRH1 (0.39)	KCNH2HRH1CYP2D6AGTR2AGTR1
SCHEMBL762720	0.86	KCNH2 (0.43)	KCNH2HRH1CYP2D6CHRM1PROKR1
SCHEMBL763530	0.86	KCNH2 (0.45)	KCNH2HRH1CYP2D6CHRM1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8138168-B1	Renin inhibitors	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2012-03-20	—	—	US	disclosed