SCHEMBL22156154 — predicted protein targets

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PDK2	Q15119	9/20	0.42

▸	SIRT2	Q8IXJ6	1/20	0.35

▸	SIRT1	Q96EB6	1/20	0.35

▸	PTGER4	P35408	1/20	0.34

▸	AKR1C3	P42330	2/20	0.33

▸	MAPKAPK2	P49137	1/20	0.33

▸	ALK	Q9UM73	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	AR	P10275	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	APP	P05067	1/20	0.32

▸	NPSR1	Q6W5P4	1/20	0.32

▸	STK10	O94804	1/20	0.32

▸	SLK	Q9H2G2	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
SCHEMBL18199835	0.94	PDK2 (0.45)	PDK2SIRT2SIRT1PTGER4AKR1C3
SCHEMBL18767525	0.93	PDK2 (0.41)	PDK2SIRT2SIRT1PTGER4MAPKAPK2
SCHEMBL9916960	0.92	PDK2 (0.48)	PDK2MEN1ALDH1A1ARMAPT
SCHEMBL25125292	0.91	PDK2 (0.40)	PDK2PTGER4AKR1C3MAPKAPK2ALK
SCHEMBL29892124	0.91	PDK2 (0.41)	PDK2SIRT2SIRT1PTGER4ALDH1A1
SCHEMBL19163603	0.91	PDK2 (0.41)	PDK2SIRT2SIRT1PTGER4ALDH1A1
SCHEMBL25125300	0.90	PDK2 (0.43)	PDK2PTGER4MAPKAPK2ALK
SCHEMBL25125148	0.90	PDK2 (0.40)	PDK2
SCHEMBL18020024	0.90	PDK2 (0.45)	PDK2SIRT2SIRT1PTGER4AKR1C3
SCHEMBL17468822	0.89	PDK2 (0.40)	PDK2SIRT2SIRT1PTGER4MAPKAPK2

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-2020127176-A1	MATERIALS FOR ELECTRONIC DEVICES	MERCK PATENT GMBH (DE)	2020-06-25	—	—	WO	disclosed