Acetic Acid — predicted protein targets

Known targets — ChEMBL curated mechanism

ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 AVPR1A AVPR1B AVPR2 BDKRB2 CALCR CHRNA3 CHRNB4 ESR1 ESR2 GHSR GNRHR GSC1 HSPA8 MALT1 MC1R MC4R NOS1 NOS2 NOS3 OPRK1 OXTR RAMP1 RAMP2 RAMP3 SCN5A SSTR1 SSTR2 SSTR3 SSTR4 SSTR5 dacA dacB dacC folP ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

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

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	RAB9A	P51151	3/20	0.41

▸	NPC1	O15118	2/20	0.41

▸	ALOX5	P09917	1/20	0.41

▸	ALAD	P13716	1/20	0.41

▸	NOTUM	Q6P988	1/20	0.41

▸	SHMT1	P34896	1/20	0.40

▸	SHMT2	P34897	1/20	0.40

▸	CNR1	P21554	3/20	0.40

▸	ERCC5	P28715	1/20	0.40

▸	FEN1	P39748	1/20	0.40

▸	CYP1A2	P05177	2/20	0.39

▸	ADORA3	P0DMS8	1/20	0.39

▸	CTRC	Q99895	1/20	0.38

▸	RXRA	P19793	1/20	0.38

▸	RXRB	P28702	1/20	0.38

▸	PTGDR2	Q9Y5Y4	1/20	0.38

▸	MCL1	Q07820	1/20	0.38

▸	EGFR	P00533	1/20	0.37

▸	POLB	P06746	2/20	0.37

▸	KDM4E	B2RXH2	1/20	0.37

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
Acetic Acid SCHEMBL3027415	0.85	CYP3A4 (0.43)	RAB9APOLBKDM4ESMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL3018716	0.83	MCL1 (0.39)	RAB9ANPC1ALOX5ALADNOTUM
Acetic Acid SCHEMBL452191	0.81	HSD17B1 (0.41)	RAB9ANPC1ALOX5ALADNOTUM
SCHEMBL10024251	0.76	MCL1 (0.54)	RAB9ANPC1ALOX5ALADNOTUM
1,4-Dichlorobenzene SCHEMBL76049	0.73	ALOX15 (0.60)	RAB9ANPC1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL10024263	0.73	RXRB (0.58)	RAB9ANPC1ALADNOTUMERCC5
SCHEMBL27748768	0.72	ACHE (0.53)	ALOX5ERCC5FEN1CYP1A2KDM4E
SCHEMBL509730	0.72	SUCNR1 (0.50)	SHMT1SHMT2ERCC5FEN1RXRA
Acetic Acid SCHEMBL560009	0.72	ALOX5 (0.39)	RAB9ANPC1ALOX5ALADNOTUM
SCHEMBL5047034	0.72	ALOX5 (0.48)	ALOX5CNR1CYP1A2MCL1EGFR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9006429-B2	Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives	SYNGENTA CROP PROTECTION, LLC (US)	2015-04-14	—	—	US	disclosed
EP-2102181-B1	4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES	SYNGENTA PARTICIPATIONS AG (CH)	2014-06-18	—	—	EP	disclosed
US-8735322-B2	Herbicides	SYNGENTA LIMITED (GB)	2014-05-27	—	—	US	disclosed
US-8680012-B2	4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides	SYNGENTA CROP PROTECTION LLC (US)	2014-03-25	—	—	US	disclosed
US-8623907-B2	Herbicides	SYNGENTA PARTICIPATIONS, AG (CH)	2014-01-07	—	—	US	disclosed
US-20140005389-A1	NOVEL HERBICIDES	SYNGENTA CROP PROTECTION LLC (US)	2014-01-02	—	—	US	disclosed
EP-2350034-B1	NOVEL HERBICIDES	SYNGENTA LTD (GB)	2013-08-28	—	—	EP	disclosed
US-20120035053-A1	NOVEL HERBICIDES	SYNGENTA CROP PROTECTION LLC (US)	2012-02-09	—	—	US	disclosed
EP-2350034-A1	NOVEL HERBICIDES	Syngenta Limited (GB)	2011-08-03	—	—	EP	disclosed
US-20110152095-A1	NOVEL HERBICIDES	SYNGENTA CROP PROTECTION, INC. (US)	2011-06-23	—	—	US	disclosed
EP-2313387-A1	NOVEL HERBICIDES	Syngenta Participations AG (CH)	2011-04-27	—	—	EP	disclosed
US-20100210466-A1	4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES	SYNGENTA PARTICIPATIONS AG (CH)	2010-08-19	—	—	US	disclosed
WO-2010046194-A1	NOVEL HERBICIDES	SYNGENTA LIMITED (GB)	2010-04-29	—	—	WO	disclosed
WO-2009150093-A1	NOVEL HERBICIDES	SYNGENTA PARTICIPATIONS AG (CH)	2009-12-17	—	—	WO	disclosed
EP-2102181-A1	4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES	Syngeta Participations AG (CH)	2009-09-23	—	—	EP	disclosed
WO-2008071405-A1	4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES	SYNGENTA PARTICIPATIONS AG (CH)	2008-06-19	—	—	WO	disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20100210466-A1	4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES	DDT, HPD, CYP4B1	RAB9A 4681/4885NPC1 4622/4885ALOX5 1958/4885
US-20120035053-A1	NOVEL HERBICIDES	DDT, HCAR3, HPD	RAB9A 4041/4885NPC1 4758/4885ALOX5 3518/4885
US-20110152095-A1	NOVEL HERBICIDES	DDT, HSD17B1, CYP1A1	RAB9A 4223/4885NPC1 4576/4885ALOX5 2388/4885
US-20140005389-A1	NOVEL HERBICIDES	DDT, HPD, HCAR3	RAB9A 4382/4885NPC1 4700/4885ALOX5 3129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.