Ether — predicted protein targets

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	3/20	0.46

▸	TSHR	P16473	2/20	0.33

▸	TP53	P04637	1/20	0.33

▸	CA5A	P35218	1/20	0.33

▸	CA5B	Q9Y2D0	1/20	0.33

▸	PPARD	Q03181	2/20	0.32

▸	CA1	P00915	1/20	0.32

▸	CA2	P00918	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
Ether SCHEMBL2403925	0.97	ALDH1A1 (0.43)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL10401617	0.97	ALDH1A1 (0.48)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL739042	0.94	ALDH1A1 (0.43)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL6514000	0.92	ALDH1A1 (0.41)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL27570944	0.88	CA5A (0.43)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL38466	0.88	CA5A (0.43)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL19813170	0.85	CA5A (0.40)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL1095738	0.85	CA5A (0.40)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL9221305	0.85	CA5A (0.40)	ALDH1A1TSHRTP53CA5ACA5B
Ether SCHEMBL828632	0.85	CA5A (0.40)	ALDH1A1TSHRTP53CA5ACA5B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8945681-B2	Coating composition comprising autoxidisable component	DSM IP ASSETS B.V. (NL)	2015-02-03	—	—	US	disclosed
US-20130225724-A1	COATING COMPOSITION COMPRISING AUTOXIDISABLE COMPONENT	DSM IP ASSETS B.V. (NL)	2013-08-29	—	—	US	disclosed
EP-2271678-B1	COATING COMPOSITION COMPRISING AUTOXIDISABLE COMPONENT	DSM IP ASSETS BV (NL)	2013-02-27	—	—	EP	disclosed
US-20110091653-A1	COATING COMPOSITION COMPRISING AUTOXIDISABLE COMPONENT	DSM IP ASSETS B.V. (NL)	2011-04-21	—	—	US	disclosed
EP-2271678-A1	COATING COMPOSITION COMPRISING AUTOXIDISABLE COMPONENT	DSM IP Assets B.V. (NL)	2011-01-12	—	—	EP	disclosed
WO-2009121892-A1	COATING COMPOSITION COMPRISING AUTOXIDISABLE COMPONENT	DSM IP ASSETS BV (NL)	2009-10-08	—	—	WO	disclosed
CN-1198508-C	Cyclohexenone oxime ether/(glyphosate/glufosinate) suspension concentrate	BASF AG (DE)	2005-04-27	—	—	CN	disclosed
CN-1333652-A	Cyclohexenone oxime ether/(glyphosate/glufosinate) suspension concentrate	BASF AG (DE)	2002-01-30	—	—	CN	disclosed
EP-0599859-A1	MAMMALIAN PANCREATIC LIPASE AND VARIANT THEREOF	NOVO NORDISK A/S (DK)	1994-06-08	—	—	EP	disclosed
WO-1993000426-A1	MAMMALIAN PANCREATIC LIPASE AND VARIANT THEREOF	NOVO NORDISK A/S (DK)	1993-01-07	—	—	WO	disclosed