SCHEMBL3377013 — predicted protein targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GRM5	P41594	14/20	0.46

▸	EPHX2	P34913	2/20	0.35

▸	NPC1	O15118	2/20	0.35

▸	RAB9A	P51151	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	EPHX1	P07099	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.34

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
SCHEMBL3375912	1.00	GRM5 (0.46)	GRM5EPHX2NPC1RAB9AMEN1
SCHEMBL3376528	0.85	GRM5 (0.44)	GRM5EPHX2NPC1RAB9AKMT2A
SCHEMBL3378683	0.85	GRM5 (0.44)	GRM5EPHX2NPC1RAB9AKMT2A
SCHEMBL990736	0.84	GRM5 (0.46)	GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL990757	0.84	GRM5 (0.46)	GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL3374792	0.84	GRM5 (0.46)	GRM5EPHX2NPC1RAB9AL3MBTL1
SCHEMBL3374694	0.84	GRM5 (0.46)	GRM5EPHX2NPC1RAB9AL3MBTL1
SCHEMBL3374718	0.84	GRM5 (0.46)	GRM5EPHX2NPC1RAB9AL3MBTL1
SCHEMBL3373020	0.84	GRM5 (0.46)	GRM5EPHX2NPC1RAB9AL3MBTL1
SCHEMBL3374691	0.83	GRM5 (0.45)	GRM5EPHX2RAB9AEPHX1

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
EP-1877365-B1	ACETYLENE DERIVATIVES	NOVARTIS AG (CH)	2010-11-10	—	—	EP	claimed