SCHEMBL7323711 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PDK2	Q15119	16/20	0.40

▸	KIF11	P52732	1/20	0.37

▸	CYP1A2	P05177	1/20	0.35

▸	GAA	P10253	1/20	0.35

▸	CYP2C9	P11712	1/20	0.35

▸	PKM	P14618	1/20	0.35

▸	CYP2C19	P33261	1/20	0.35

▸	SLC1A3	P43003	1/20	0.34

▸	SLC1A2	P43004	1/20	0.34

▸	SLC1A1	P43005	1/20	0.34

▸	PTGS2	P35354	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
SCHEMBL7323718	1.00	PDK2 (0.40)	PDK2KIF11CYP1A2GAACYP2C9
SCHEMBL7323867	0.89	KIF11 (0.44)	PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7317367	0.89	KIF11 (0.44)	PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7317362	0.89	KIF11 (0.44)	PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7312848	0.87	KIF11 (0.41)	PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7312855	0.87	KIF11 (0.41)	PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7313467	0.86	PDK2 (0.36)	PDK2SLC1A3SLC1A2SLC1A1
SCHEMBL7313751	0.86	KIF11 (0.42)	PDK2KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL7313476	0.86	PDK2 (0.36)	PDK2SLC1A3SLC1A2SLC1A1
SCHEMBL7313746	0.86	KIF11 (0.42)	PDK2KIF11SLC1A3SLC1A2SLC1A1

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
US-6162824-A	NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS	ALLELIX NEUROSCIENCE INC.	2000-12-19	—	—	US	disclosed