SCHEMBL16630650 — predicted protein targets

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	NSD2	O96028	2/20	0.46

▸	ALDH1A1	P00352	2/20	0.43

▸	HTT	P42858	1/20	0.43

▸	RAB9A	P51151	3/20	0.42

▸	NPC1	O15118	1/20	0.42

▸	MCHR1	Q99705	2/20	0.40

▸	LIMK2	P53671	1/20	0.39

▸	CDK4	P11802	2/20	0.38

▸	CCND1	P24385	2/20	0.38

▸	MAPT	P10636	1/20	0.37

▸	EPHX2	P34913	1/20	0.36

▸	PDK1	Q15118	2/20	0.36

▸	PDK2	Q15119	2/20	0.36

▸	PDK3	Q15120	2/20	0.36

▸	PDK4	Q16654	2/20	0.36

▸	KMT2A	Q03164	2/20	0.36

▸	MEN1	O00255	1/20	0.36

▸	HTR2C	P28335	1/20	0.36

▸	KCNH2	Q12809	1/20	0.36

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
SCHEMBL21278293	0.89	ADRB3 (0.43)	NSD2KCNH2
SCHEMBL16619891	0.89	ADRB3 (0.43)	NSD2KCNH2
SCHEMBL16620053	0.82	ADRB3 (0.46)	ALDH1A1KCNH2
SCHEMBL16619590	0.76	ADRB3 (0.38)	KCNH2
SCHEMBL16619594	0.76	ADRB3 (0.38)	KCNH2
SCHEMBL21278289	0.72	EPHX2 (0.44)	NSD2RAB9ANPC1MCHR1LIMK2
SCHEMBL16629920	0.71	MAOA (0.41)	ALDH1A1LIMK2PDK1PDK2PDK3
SCHEMBL16619689	0.70	ADRB3 (0.48)	RAB9AKCNH2
SCHEMBL16619775	0.70	ADRB3 (0.43)	NSD2KCNH2
SCHEMBL16619777	0.70	ADRB3 (0.43)	NSD2KCNH2

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
WO-2015050798-A1	NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS	MERCK SHARP & DOHME CORP. (US)	2015-04-09	—	—	WO	disclosed