SCHEMBL21708854 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CGAS	Q8N884	1/20	0.33

▸	CA12	O43570	1/20	0.33

▸	CA1	P00915	1/20	0.33

▸	CA2	P00918	1/20	0.33

▸	CA4	P22748	1/20	0.33

▸	CA9	Q16790	1/20	0.33

▸	BCHE	P06276	2/20	0.32

▸	MAOA	P21397	2/20	0.32

▸	MAOB	P27338	1/20	0.30

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
SCHEMBL21708853	0.89	BCHE (0.36)	CA12CA1CA2CA4CA9
SCHEMBL21709150	0.83	CA12 (0.39)	CA12CA1CA2CA4CA9
SCHEMBL21708877	0.81	HTR2A (0.39)	CGASMAOB
SCHEMBL21708864	0.76	HTR2A (0.33)	CGASMAOA
SCHEMBL21709160	0.76	CA12 (0.35)	CA12CA1CA2CA4CA9
SCHEMBL21709269	0.76	BCHE (0.39)	CA12CA1CA2CA4CA9
SCHEMBL21709062	0.76	CA12 (0.46)	CA12CA1CA2CA4CA9
SCHEMBL21709249	0.74	MAOA (0.31)	MAOA
SCHEMBL21709156	0.72	BCHE (0.36)	CA12CA1CA2CA4CA9
SCHEMBL21708858	0.68	HTR2A (0.42)	MAOB

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-2020032080-A1	COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND	学校法人慶應義塾	2020-02-13	—	—	WO	disclosed