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
▸	OPRK1 known ✓	P41145	1/20	0.33

▸	F2	P00734	4/20	0.44

▸	CARM1	Q86X55	2/20	0.35

▸	PRMT6	Q96LA8	2/20	0.35

▸	MAPT	P10636	1/20	0.34

▸	FURIN	P09958	1/20	0.34

▸	PDE10A	Q9Y233	2/20	0.33

▸	MT-CO2	P00403	2/20	0.33

▸	PRSS1	P07477	3/20	0.33

▸	F7	P08709	2/20	0.33

▸	F10	P00742	2/20	0.33

▸	PRSS2	P07478	1/20	0.33

▸	PRSS3	P35030	1/20	0.33

▸	PTGER3	P43115	1/20	0.33

▸	KDM4E	B2RXH2	3/20	0.33

▸	ALDH1A1	P00352	3/20	0.33

▸	HPGD	P15428	3/20	0.33

▸	LMNA	P02545	2/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	MEN1	O00255	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
Acetic Acid SCHEMBL6078703	0.91	F7 (0.35)	F2PRSS1F7F10KDM4E
SCHEMBL6078928	0.90	F2 (0.37)	F2CARM1PRMT6MAPTPDE10A
SCHEMBL6028574	0.90	F2 (0.37)	F2CARM1PRMT6MAPTPDE10A
Acetic Acid SCHEMBL6078758	0.87	F2 (0.42)	F2PRSS1F7F10
Acetic Acid SCHEMBL6076965	0.86	KLKB1 (0.35)	F2PRSS1F7F10OPRK1
Acetic Acid SCHEMBL6078037	0.84	PRSS1 (0.43)	F2PRSS1F7F10PTGER3
Acetic Acid SCHEMBL6028984	0.84	F2 (0.39)	F2PRSS1F7F10KDM4E
SCHEMBL6079216	0.83	PRSS1 (0.44)	F2PRSS1F7F10PTGER3
SCHEMBL6031605	0.83	PRSS1 (0.44)	F2PRSS1F7F10PTGER3
SCHEMBL6028717	0.82	KMT2A (0.34)	MAPTKDM4EALDH1A1HPGDOPRK1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7056932-B2	Heterocyclyl substituted 1-alkoxy acetic acid amides	HOFFMAN-LA ROCHE INC. (US)	2006-06-06	—	—	US	claimed
US-20050137168-A1	Heterocyclyl substituted 1-alkoxy acetic acid amides	HOFFMANN-LA ROCHE INC.	2005-06-23	—	—	US	claimed
US-7056932-B2	Heterocyclyl substituted 1-alkoxy acetic acid amides	HOFFMAN-LA ROCHE INC. (US)	2006-06-06	—	—	US	disclosed
US-20050137168-A1	Heterocyclyl substituted 1-alkoxy acetic acid amides	HOFFMANN-LA ROCHE INC.	2005-06-23	—	—	US	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 (1 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-20050137168-A1	Heterocyclyl substituted 1-alkoxy acetic acid amides	F12, TFPI, F11	OPRK1 1963/4885F2 7/4885CARM1 4425/4885

“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.