SCHEMBL28405014 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ACACA	Q13085	3/20	0.46

▸	GABRA5	P31644	2/20	0.43

▸	PTGES	O14684	3/20	0.43

▸	PPARD	Q03181	3/20	0.43

▸	FFAR1	O14842	3/20	0.43

▸	MRGPRX4	Q96LA9	1/20	0.42

▸	PPARA	Q07869	1/20	0.42

▸	WDR5	P61964	1/20	0.40

▸	VDR	P11473	1/20	0.40

▸	FFAR4	Q5NUL3	1/20	0.40

▸	KLKB1	P03952	1/20	0.40

▸	NR1H4	Q96RI1	1/20	0.40

▸	F10	P00742	1/20	0.40

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
SCHEMBL20772827	0.97	FFAR4 (0.43)	ACACAGABRA5PTGESPPARDFFAR1
SCHEMBL28890703	0.94	PIM1 (0.43)	ACACAGABRA5PTGESMRGPRX4VDR
SCHEMBL20772316	0.90	NR1H4 (0.48)	ACACAPTGESPPARDFFAR1MRGPRX4
SCHEMBL28410891	0.90	PTGES (0.45)	ACACAGABRA5PTGESFFAR1MRGPRX4
SCHEMBL28410957	0.90	VDR (0.42)	ACACAGABRA5PPARDFFAR1MRGPRX4
SCHEMBL20772628	0.90	PTGES (0.42)	ACACAGABRA5PTGESMRGPRX4VDR
SCHEMBL20772613	0.89	ACACA (0.51)	ACACAGABRA5PTGESPPARDFFAR1
SCHEMBL20773062	0.89	PTGES (0.42)	ACACAGABRA5PTGESFFAR1WDR5
SCHEMBL20772830	0.89	ACACA (0.45)	ACACAGABRA5PTGESPPARDFFAR1
SCHEMBL20773024	0.89	WDR5 (0.46)	ACACAGABRA5PTGESFFAR1WDR5

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
CN-111132961-A	Bisaryloxy derivatives as TTX-S blockers	拉夸里亚创药株式会社	2020-05-08	—	—	CN	disclosed