Acetic Acid

Acetic Acid

SCHEMBL3420114

CC(=O)O.Sn1cnnn1

nearest known ligand 0.44

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.44
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NOTUM Q6P988 1/20 0.34
HMOX1 P09601 1/20 0.34
TP53 P04637 2/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL17006928 0.83 NOTUM (0.46) KCNJ1ALDH1A1NOTUMHMOX1TP53
Hydroquinone SCHEMBL8001914 0.74 MAPT (0.57) KCNJ1ALDH1A1NOTUMTP53RAB9A
SCHEMBL8401872 0.65 KCNJ1 (0.41) KCNJ1ALDH1A1RXFP1TP53KMT2A
Acetic Acid SCHEMBL27814804 0.61 FFAR3 (0.47)
Acetic Acid SCHEMBL584739 0.57
Acetic Acid SCHEMBL5191048 0.57
Benzene SCHEMBL1761127 0.57 FFAR3 (0.78) ALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL21753924 0.57 FFAR3 (0.78) ALDH1A1
Benzene SCHEMBL21273372 0.57 FFAR3 (0.78) ALDH1A1SMN1; SMN2
Benzene SCHEMBL30925595 0.57 FFAR3 (0.78) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919436-B2 Isolation of proteins UPFRONT CHROMATOGRAPHY A/S (DK) 2005-07-19 US claimed
EP-1386660-A1 Isolation of proteins UPFRONT CHROMATOGRAPHY A/S (DK) 2004-02-04 EP claimed
US-20030187227-A1 Isolation of immunoglobulins UPFRONT CHROMATOGRAPHY A/S 2003-10-02 US claimed
EP-0921855-A1 ISOLATION OF IMMUNOGLOBULINS UPFRONT CHROMATOGRAPHY A/S (DK) 1999-06-16 EP claimed
WO-1998008603-A1 ISOLATION OF IMMUNOGLOBULINS UPFRONT CHROMATOGRAPHY A/S (DK) 1998-03-05 WO claimed
US-10457704-B2 Separation processes for pea protein Upfront Chromatograhy A/S (DK) 2019-10-29 US disclosed
EP-3099187-B1 NOVEL SEPARATION PROCESSES FOR PEA PROTEIN UPFRONT CHROMATOGRAPHY AS (DK) 2018-06-06 EP disclosed
US-9765111-B2 Separation processes for soy protein UPFRONT CHROMATOGRAPHY A/S (DK) 2017-09-19 US disclosed
EP-3099187-A1 NOVEL SEPARATION PROCESSES FOR PEA PROTEIN UPFRONT CHROMATOGRAPHY A/S (DK) 2016-12-07 EP disclosed
US-20160340385-A1 NOVEL SEPARATION PROCESSES FOR PEA PROTEIN Upfront Chromatograhy A/S (DK) 2016-11-24 US disclosed
US-20150299275-A1 SEPARATION PROCESSES FOR SOY PROTEIN UPFRONT CHROMATOGRAPHY A/S (DK) 2015-10-22 US disclosed
EP-2912052-A1 SEPARATION PROCESSES FOR SOY PROTEIN UPFRONT CHROMATOGRAPHY A/S (DK) 2015-09-02 EP disclosed
WO-2015114045-A1 NOVEL SEPARATION PROCESSES FOR PEA PROTEIN UPFRONT CHROMATOGRAPHY A/S (DK) 2015-08-06 WO disclosed
US-20140325897-A1 PRODUCTION OF BIOFUEL AND PROTEIN FROM A RAW MATERIAL UPFRONT CHROMATOGRAPHY AS (DK) 2014-11-06 US disclosed
US-8815551-B2 Production of biofuel and protein from a raw material UPFRONT CHROMATOGRAPHY A/S (DK) 2014-08-26 US disclosed
WO-2014064132-A1 SEPARATION PROCESSES FOR SOY PROTEIN UPFRONT CHROMATOGRAPHY A/S (DK) 2014-05-01 WO disclosed
US-20100120107-A1 combined production of a biofuel and the purification of a protein product using an expanded bed adsorption process; cost efficient use of protein by-product; generate bioethanol, hydrogen, biodiesel, biobutanol, biopropanol; high energy yield UPFRONT CHROMATOGRAPHY A/S 2010-05-13 US disclosed
EP-2112949-A1 PRODUCTION OF BIOFUEL AND PROTEIN FROM A RAW MATERIAL UPFRONT CHROMATOGRAPHY A/S (DK) 2009-11-04 EP disclosed
WO-2008086811-A1 PRODUCTION OF BIOFUEL AND PROTEIN FROM A RAW MATERIAL UPFRONT CHROMATOGRAPHY A/S (DK) 2008-07-24 WO disclosed