SCHEMBL28898148 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GRM4	Q14833	1/20	0.39

▸	SLC10A1	Q14973	9/20	0.39

▸	FSCN1	Q16658	1/20	0.36

▸	IMPDH2	P12268	1/20	0.34

▸	LRRK2	Q5S007	1/20	0.34

▸	PGR	P06401	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.33

▸	SAE1	Q9UBE0	1/20	0.33

▸	UBA2	Q9UBT2	1/20	0.33

▸	HPGD	P15428	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	KCNH2	Q12809	1/20	0.32

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
SCHEMBL28898134	0.84	SLC10A1 (0.42)	GRM4SLC10A1LRRK2ALDH1A1
SCHEMBL28898136	0.84	SLC10A1 (0.42)	GRM4SLC10A1LRRK2
SCHEMBL21428047	0.84	SLC10A1 (0.46)	GRM4SLC10A1FSCN1IMPDH2LRRK2
SCHEMBL30388015	0.84	SLC10A1 (0.46)	GRM4SLC10A1FSCN1IMPDH2LRRK2
SCHEMBL28902832	0.84	SLC10A1 (0.46)	GRM4SLC10A1FSCN1IMPDH2LRRK2
SCHEMBL28898130	0.83	SLC10A1 (0.41)	GRM4SLC10A1LRRK2
SCHEMBL28898138	0.83	GRM4 (0.39)	GRM4SLC10A1LRRK2PGRKDM4E
SCHEMBL28898152	0.82	GRM4 (0.40)	GRM4SLC10A1FSCN1LRRK2PGR
SCHEMBL28898141	0.82	GRM4 (0.40)	GRM4SLC10A1FSCN1PGR
SCHEMBL21408378	0.82	GRM4 (0.43)	GRM4SLC10A1FSCN1IMPDH2LRRK2

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