SCHEMBL28985114 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDR	P35968	17/20	0.53

▸	EGFR	P00533	5/20	0.52

▸	HDAC3	O15379	10/20	0.51

▸	HDAC4	P56524	10/20	0.51

▸	HDAC1	Q13547	10/20	0.51

▸	HDAC7	Q8WUI4	10/20	0.51

▸	HDAC2	Q92769	10/20	0.51

▸	HDAC10	Q969S8	10/20	0.51

▸	HDAC11	Q96DB2	10/20	0.51

▸	HDAC8	Q9BY41	10/20	0.51

▸	HDAC6	Q9UBN7	10/20	0.51

▸	HDAC9	Q9UKV0	10/20	0.51

▸	HDAC5	Q9UQL6	10/20	0.51

▸	ERBB2	P04626	1/20	0.50

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
SCHEMBL28985112	1.00	KDR (0.53)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL28985115	0.97	KDR (0.54)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL28985120	0.94	KDR (0.60)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL28985117	0.91	EGFR (0.57)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL28985104	0.88	KDR (0.56)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL29449688	0.86	KDR (0.57)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL29449652	0.86	KDR (0.57)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL29449706	0.86	KDR (0.57)	KDREGFRHDAC3HDAC4HDAC1
SCHEMBL28985127	0.84	KDR (0.55)	KDREGFR
SCHEMBL28985092	0.83	KDR (0.54)	KDREGFRHDAC3HDAC4HDAC1

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