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
▸	CYP1A2	P05177	3/20	0.44

▸	HSP90AB1	P08238	1/20	0.44

▸	LMNA	P02545	2/20	0.42

▸	HSP90AA1	P07900	1/20	0.40

▸	ALDH1A1	P00352	4/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	HTT	P42858	1/20	0.38

▸	HSD17B10	Q99714	2/20	0.37

▸	GAA	P10253	1/20	0.37

▸	ATM	Q13315	1/20	0.37

▸	TP53	P04637	1/20	0.37

▸	FFAR3	O14843	1/20	0.37

▸	LCK	P06239	1/20	0.37

▸	FYN	P06241	1/20	0.37

▸	HRH4	Q9H3N8	1/20	0.36

▸	NPC1	O15118	1/20	0.36

▸	RAB9A	P51151	1/20	0.36

▸	HPGD	P15428	2/20	0.35

▸	NUDT1	P36639	1/20	0.35

▸	KDM4E	B2RXH2	2/20	0.35

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 SCHEMBL9194364	0.89	CYP1A2 (0.52)	CYP1A2LMNAALDH1A1HSD17B10GAA
Acetic Acid SCHEMBL28146303	0.86	CYP1A2 (0.50)	CYP1A2LMNAALDH1A1HSD17B10GAA
SCHEMBL36733	0.83	—	—
Formaldehyde SCHEMBL1965611	0.80	HSP90AB1 (0.50)	CYP1A2HSP90AB1LMNAHSP90AA1ALDH1A1
Acetone SCHEMBL28276755	0.80	LMNA (0.52)	CYP1A2LMNAALDH1A1SMN1; SMN2HSD17B10
Sulfuric Acid SCHEMBL317165	0.79	HSP90AB1 (0.44)	CYP1A2HSP90AB1LMNAHSP90AA1ALDH1A1
Phosphoric Acid SCHEMBL8064070	0.79	HSP90AB1 (0.44)	CYP1A2HSP90AB1LMNAHSP90AA1ALDH1A1
Butyric Acid SCHEMBL2353022	0.78	FFAR3 (0.52)	CYP1A2HSP90AB1HSP90AA1ALDH1A1HSD17B10
SCHEMBL9533386	0.78	HSP90AB1 (0.48)	CYP1A2HSP90AB1LMNAHSP90AA1ALDH1A1
Phthalic Acid SCHEMBL6837519	0.77	ALDH1A1 (0.54)	CYP1A2ALDH1A1SMN1; SMN2HSD17B10NPC1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20110207926-A1	NOVEL DIHYDROTRIAZINE DERIVATIVE	HAMARI CHEMICALS, LTD. (JP)	2011-08-25	—	—	US	disclosed
EP-2332925-A1	NOVEL DIHYDROTRIAZINE DERIVATIVE	Hamari Chemicals, Ltd. (JP)	2011-06-15	—	—	EP	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-20110207926-A1	NOVEL DIHYDROTRIAZINE DERIVATIVE	QDPR, DRD4, DRD1	CYP1A2 2008/4885HSP90AB1 2766/4885LMNA 3250/4885

“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.