SCHEMBL16521964 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	P2RX7	Q99572	15/20	0.39

▸	CHRM2	P08172	3/20	0.33

▸	CHRM4	P08173	3/20	0.33

▸	CHRM5	P08912	3/20	0.33

▸	CHRM1	P11229	3/20	0.33

▸	CHRM3	P20309	3/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	POLB	P06746	1/20	0.33

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
SCHEMBL18947413	0.86	PTGER4 (0.36)	P2RX7KMT2AMEN1POLB
SCHEMBL12923195	0.83	P2RX7 (0.36)	P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL6706546	0.80	ACE (0.41)	P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL16515479	0.78	KMT2A (0.41)	P2RX7KMT2AMEN1
SCHEMBL983163	0.78	KMT2A (0.41)	P2RX7KMT2AMEN1
SCHEMBL3924220	0.71	CHRM2 (0.58)	P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL14603564	0.67	CHRM2 (0.36)	CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8761596	0.65	P2RX7 (0.46)	P2RX7KMT2AMEN1POLB
SCHEMBL10754807	0.65	ACE (0.39)	P2RX7KMT2AMEN1POLB
SCHEMBL7826338	0.65	ACE (0.39)	P2RX7KMT2AMEN1POLB

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-2015024878-A1	NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II	LEO PHARMA A/S (DK)	2015-02-26	—	—	WO	disclosed