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
▸	ALDH1A1	P00352	3/20	0.41

▸	HPGD	P15428	1/20	0.41

▸	ALOX15	P16050	1/20	0.41

▸	HSD17B10	Q99714	1/20	0.41

▸	TDP1	Q9NUW8	1/20	0.41

▸	HDAC4	P56524	1/20	0.40

▸	HDAC2	Q92769	1/20	0.40

▸	HDAC8	Q9BY41	1/20	0.40

▸	MEN1	O00255	4/20	0.38

▸	KMT2A	Q03164	4/20	0.38

▸	MAPT	P10636	2/20	0.38

▸	GAA	P10253	1/20	0.38

▸	PKM	P14618	1/20	0.38

▸	RECQL	P46063	1/20	0.38

▸	P2RX1	P51575	1/20	0.37

▸	SIRT1	Q96EB6	1/20	0.37

▸	HSP90AA1	P07900	2/20	0.37

▸	HSP90AB1	P08238	2/20	0.37

▸	NPC1	O15118	4/20	0.36

▸	RAB9A	P51151	4/20	0.36

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
Hydrochloric Acid SCHEMBL7234991	0.90	ALDH1A1 (0.47)	ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7772549	0.90	ALDH1A1 (0.50)	ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL57324	0.90	ALDH1A1 (0.50)	ALDH1A1HPGDALOX15HSD17B10TDP1
Acetic Acid SCHEMBL7774802	0.82	KMT2A (0.46)	ALDH1A1HPGDALOX15HSD17B10TDP1
Acetic Acid SCHEMBL7768764	0.80	NPC1 (0.42)	HPGDALOX15HDAC2MAPTHSP90AA1
Acetic Acid SCHEMBL7774663	0.79	KMT2A (0.43)	ALDH1A1HPGDALOX15HSD17B10TDP1
Acetic Acid SCHEMBL7774661	0.78	CYP19A1 (0.47)	ALDH1A1HPGDALOX15HDAC4HDAC2
Acetic Acid SCHEMBL7776288	0.78	MAPT (0.42)	ALDH1A1HPGDALOX15TDP1MEN1
Acetic Acid SCHEMBL7768726	0.78	PTPN5 (0.41)	ALDH1A1HPGDALOX15TDP1HDAC4
Acetic Acid SCHEMBL7768790	0.77	HSD17B14 (0.42)	ALDH1A1TDP1MEN1KMT2AMAPT

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1119573-A2	BIPYRIDINE MANGANESE COMPLEXES	EUKARION, INC. (US)	2001-08-01	—	—	EP	claimed
US-6177419-B1	ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS	EUKARION, INC.	2001-01-23	—	—	US	claimed
WO-2000009512-A2	BIPYRIDINE MANGANESE COMPLEXES	EUKARION, INC. (US)	2000-02-24	—	—	WO	claimed
EP-1119573-A2	BIPYRIDINE MANGANESE COMPLEXES	EUKARION, INC. (US)	2001-08-01	—	—	EP	disclosed
US-6177419-B1	ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS	EUKARION, INC.	2001-01-23	—	—	US	disclosed
WO-2000009512-A2	BIPYRIDINE MANGANESE COMPLEXES	EUKARION, INC. (US)	2000-02-24	—	—	WO	disclosed