SCHEMBL28898141 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GRM4	Q14833	1/20	0.40

▸	NPC1	O15118	1/20	0.35

▸	POLB	P06746	1/20	0.35

▸	MAPT	P10636	1/20	0.35

▸	RAB9A	P51151	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	SLC10A1	Q14973	7/20	0.35

▸	FSCN1	Q16658	1/20	0.34

▸	RAF1	P04049	1/20	0.34

▸	BRAF	P15056	1/20	0.34

▸	PGR	P06401	1/20	0.33

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
SCHEMBL25645198	0.87	GRM4 (0.44)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL28898152	0.84	GRM4 (0.40)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL22973693	0.84	GRM4 (0.41)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL21428138	0.84	GRM4 (0.41)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL21427898	0.84	GRM4 (0.41)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL30361280	0.84	GRM4 (0.41)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL30294223	0.84	GRM4 (0.41)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL21427894	0.83	GRM4 (0.44)	GRM4NPC1POLBMAPTRAB9A
SCHEMBL28898148	0.82	GRM4 (0.39)	GRM4SLC10A1FSCN1PGR
SCHEMBL23010473	0.82	GRM4 (0.47)	GRM4NPC1POLBMAPTRAB9A

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-111868026-B	Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof	正大天晴药业集团股份有限公司	2022-11-25	—	—	CN	disclosed