SCHEMBL28645644 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	15/20	0.37

▸	CYP3A4	P08684	9/20	0.37

▸	BRD4	O60885	1/20	0.33

▸	PDK2	Q15119	1/20	0.33

▸	PDCD1	Q15116	1/20	0.33

▸	CD274	Q9NZQ7	1/20	0.33

▸	P2RX3	P56373	1/20	0.32

▸	TRPV4	Q9HBA0	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
SCHEMBL17870719	0.91	GNRHR (0.38)	GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL30178637	0.91	GNRHR (0.38)	GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL30178380	0.87	GNRHR (0.36)	GNRHRCYP3A4BRD4PDK2P2RX3
SCHEMBL19874027	0.87	GNRHR (0.36)	GNRHRCYP3A4BRD4PDK2P2RX3
SCHEMBL28660744	0.84	GNRHR (0.40)	GNRHRCYP3A4
SCHEMBL19873999	0.82	GNRHR (0.35)	GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL30178426	0.82	GNRHR (0.35)	GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL28638881	0.81	GNRHR (0.40)	GNRHRCYP3A4PDCD1CD274
SCHEMBL28651462	0.80	GNRHR (0.41)	GNRHRCYP3A4PDCD1CD274
SCHEMBL28638656	0.79	GNRHR (0.41)	GNRHRCYP3A4PDCD1CD274

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-107428744-B	Novel heterocyclic compounds and their use in medicine and cosmetics	盖尔德马研究及发展公司	2021-09-24	—	—	CN	disclosed