SCHEMBL28985104 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KDR	P35968	19/20	0.56

▸	HDAC3	O15379	12/20	0.56

▸	HDAC4	P56524	12/20	0.56

▸	HDAC1	Q13547	12/20	0.56

▸	HDAC7	Q8WUI4	12/20	0.56

▸	HDAC2	Q92769	12/20	0.56

▸	HDAC10	Q969S8	12/20	0.56

▸	HDAC11	Q96DB2	12/20	0.56

▸	HDAC8	Q9BY41	12/20	0.56

▸	HDAC6	Q9UBN7	12/20	0.56

▸	HDAC9	Q9UKV0	12/20	0.56

▸	HDAC5	Q9UQL6	12/20	0.56

▸	EGFR	P00533	5/20	0.53

▸	AURKB	Q96GD4	1/20	0.51

▸	IRAK4	Q9NWZ3	1/20	0.51

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
SCHEMBL28985117	0.91	EGFR (0.57)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28985120	0.90	KDR (0.60)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28985115	0.90	KDR (0.54)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28985127	0.89	KDR (0.55)	KDREGFRAURKBIRAK4
SCHEMBL28985114	0.88	KDR (0.53)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28985112	0.88	KDR (0.53)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL29449675	0.88	KDR (0.60)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28694530	0.88	KDR (0.60)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL29449663	0.88	KDR (0.60)	KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28985109	0.87	KDR (0.53)	KDREGFRAURKBIRAK4

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-113845485-B	Amino acid derivative and preparation method and application thereof	湖南中医药大学	2023-03-14	—	—	CN	disclosed