SCHEMBL12874745 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	BTK	Q06187	10/20	0.47

▸	HPGD	P15428	3/20	0.39

▸	MAPK1	P28482	2/20	0.39

▸	ALDH1A1	P00352	2/20	0.39

▸	TSHR	P16473	1/20	0.39

▸	RECQL	P46063	1/20	0.39

▸	USP2	O75604	1/20	0.39

▸	POLB	P06746	1/20	0.38

▸	LMNA	P02545	1/20	0.37

▸	HIF1A	Q16665	1/20	0.37

▸	EPAS1	Q99814	1/20	0.37

▸	PGK1	P00558	1/20	0.36

▸	RAB9A	P51151	1/20	0.36

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
SCHEMBL6115486	0.88	BTK (0.61)	BTKHPGDMAPK1ALDH1A1TSHR
SCHEMBL6115605	0.74	BTK (0.69)	BTKHPGD
SCHEMBL6116026	0.71	BTK (0.70)	BTK
SCHEMBL6116188	0.70	BTK (0.69)	BTK
SCHEMBL8402005	0.70	BTK (0.68)	BTK
SCHEMBL18783250	0.69	BTK (0.64)	BTK
SCHEMBL6115928	0.69	BTK (0.57)	BTKHPGDMAPK1
SCHEMBL6115433	0.69	BTK (0.66)	BTK
SCHEMBL6116145	0.68	BTK (0.65)	BTK
SCHEMBL8568889	0.66	BTK (0.61)	BTK

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-2011019780-A1	AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF	BRISTOL-MYERS SQUIBB COMPANY (US)	2011-02-17	—	—	WO	disclosed