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 18)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	2/20	0.69

▸	FFAR3	O14843	2/20	0.54

▸	LCK	P06239	1/20	0.54

▸	FYN	P06241	1/20	0.54

▸	CA4	P22748	4/20	0.50

▸	FAHD1	Q6P587	1/20	0.40

▸	LMNA	P02545	2/20	0.36

▸	HDAC3	O15379	1/20	0.33

▸	HDAC1	Q13547	1/20	0.33

▸	HDAC2	Q92769	1/20	0.33

▸	HDAC8	Q9BY41	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	LDHA	P00338	1/20	0.33

▸	BLM	P54132	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	THPO	P40225	1/20	0.33

▸	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
Acetic Acid SCHEMBL28252078	0.96	CA1 (0.75)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL6749539	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL10939984	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL11171825	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL7316954	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL676822	0.92	CA1 (0.73)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL11168446	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL11533245	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL437034	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4
Acetic Acid SCHEMBL6856161	0.92	CA1 (0.82)	CA1FFAR3LCKFYNCA4

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
US-20040044221-A1	Synthesis of epothilones, intermediates thereto, analogues and uses thereof	NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT	2004-03-04	—	—	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-20040044221-A1	Synthesis of epothilones, intermediates thereto, analogues and uses thereof	DHPS, PPOX, DOHH	CA1 4561/4885FFAR3 3752/4885LCK 3934/4885

“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.