SCHEMBL998828 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	AKT1	P31749	1/20	0.34

▸	TUBB4A	P04350	2/20	0.33

▸	TUBB	P07437	2/20	0.33

▸	TUBA3C	P0DPH7	2/20	0.33

▸	TUBA1B	P68363	2/20	0.33

▸	TUBA4A	P68366	2/20	0.33

▸	TUBB4B	P68371	2/20	0.33

▸	TUBB3	Q13509	2/20	0.33

▸	TUBB2A	Q13885	2/20	0.33

▸	TUBB8	Q3ZCM7	2/20	0.33

▸	TUBA3E	Q6PEY2	2/20	0.33

▸	TUBA1A	Q71U36	2/20	0.33

▸	TUBA1C	Q9BQE3	2/20	0.33

▸	TUBB6	Q9BUF5	2/20	0.33

▸	TUBB2B	Q9BVA1	2/20	0.33

▸	TUBB1	Q9H4B7	2/20	0.33

▸	MTNR1A	P48039	2/20	0.30

▸	CYP3A4	P08684	1/20	0.30

▸	ALDH5A1	P51649	1/20	0.30

▸	ABAT	P80404	1/20	0.30

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
SCHEMBL997534	0.85	MTNR1A (0.44)	AKT1MTNR1A
SCHEMBL804188	0.70	SLC9A1 (0.39)	AKT1MTNR1A
SCHEMBL5543411	0.69	ABCG2 (0.31)	MTNR1A
SCHEMBL10347642	0.67	AKT1 (0.61)	AKT1CYP3A4ALDH5A1ABAT
SCHEMBL997046	0.66	MAPT (0.42)	AKT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997040	0.66	MAPT (0.42)	AKT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1412635	0.66	AKT1 (0.48)	AKT1CYP3A4ALDH5A1ABAT
SCHEMBL2033473	0.66	AKT1 (0.48)	AKT1CYP3A4ALDH5A1ABAT
SCHEMBL17861392	0.65	MAP3K14 (0.38)	MTNR1A
SCHEMBL10669861	0.65	ABCG2 (0.31)	—

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-2011009826-A2	NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY	ADAMED Sp.z o.o. (PL)	2011-01-27	—	—	WO	disclosed