SCHEMBL20043543 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	LPL	P06858	13/20	0.39

▸	LIPG	Q9Y5X9	13/20	0.39

▸	FFAR1	O14842	1/20	0.37

▸	F11	P03951	1/20	0.36

▸	P2RX7	Q99572	1/20	0.35

▸	MAPK1	P28482	1/20	0.33

▸	CA1	P00915	1/20	0.33

▸	CA2	P00918	1/20	0.33

▸	CA9	Q16790	1/20	0.33

▸	IRAK4	Q9NWZ3	1/20	0.33

▸	GSK3A	P49840	1/20	0.33

▸	GSK3B	P49841	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
SCHEMBL12373176	0.88	LPL (0.44)	LPLLIPGFFAR1F11P2RX7
SCHEMBL626260	0.81	LPL (0.39)	LPLLIPGFFAR1F11P2RX7
SCHEMBL31219289	0.81	LPL (0.39)	LPLLIPGFFAR1F11P2RX7
SCHEMBL25815214	0.79	LIPG (0.44)	LPLLIPGFFAR1F11P2RX7
SCHEMBL925705	0.79	LPL (0.38)	LPLLIPGFFAR1F11P2RX7
SCHEMBL791063	0.79	F11 (0.38)	LPLLIPGFFAR1F11P2RX7
SCHEMBL4163085	0.79	FFAR1 (0.40)	LPLLIPGFFAR1F11P2RX7
SCHEMBL975905	0.79	LPL (0.49)	LPLLIPGFFAR1F11P2RX7
SCHEMBL1302755	0.79	LPL (0.38)	LPLLIPGFFAR1F11P2RX7
SCHEMBL1302760	0.78	MKNK1 (0.39)	LPLLIPGFFAR1F11CA1

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-2018067762-A2	HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS	THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US)	2018-04-12	—	—	WO	disclosed