Acetic Acid

Acetic Acid

SCHEMBL5568567

CC(=O)O.CCCNCC

nearest known ligand 0.48

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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 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.48
TSHR P16473 1/20 0.46
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
FFAR3 O14843 3/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
MCL1 Q07820 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 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.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL6367218 0.88 PAOX (0.58) PAOXTSHRFFAR3LCKFYN
Acetic Acid SCHEMBL7118921 0.88 CYP2C19 (0.45) PAOXTSHRCYP2C19MEN1GLA
Acetic Acid SCHEMBL7561331 0.86 PAOX (0.56) PAOXTSHRFFAR3LCKFYN
Methacrylic Acid SCHEMBL30732488 0.85 PAOX (0.42) PAOXTSHRCYP2C19MEN1GLA
Acetic Acid SCHEMBL5571306 0.84 TSHR (0.70) PAOXTSHRCYP2C19MEN1GLA
Acetic Acid SCHEMBL29061342 0.82 TSHR (0.67) PAOXTSHRCYP2C19MEN1GLA
Fumaric Acid SCHEMBL27758137 0.82 HCAR2 (0.43) PAOXTSHRCYP2C19MEN1GLA
Diethylamine SCHEMBL21834232 0.82 TP53 (0.57) PAOXTSHRCYP2C19MEN1GLA
Diethylamine SCHEMBL28871047 0.82 TP53 (0.57) PAOXTSHRCYP2C19MEN1GLA
Diethylamine SCHEMBL28027344 0.82 TP53 (0.57) PAOXTSHRCYP2C19MEN1GLA

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138518-B1 Liquid chromatographic separation of polynucleotides TRANSGENOMIC, INC. (US) 2006-11-21 US claimed
US-20040034211-A1 Mutation detection method TRANSGENOMIC, INC. 2004-02-19 US claimed
US-20030144500-A1 Mutation detection method TRANSGENOMIC, INC. (US) 2003-07-31 US claimed
EP-1299166-A4 POLYNUCLEOTIDE SEPARATIONS ON POLYMERIC SEPARATION MEDIA TRANSGENOMIC INC (US) 2003-07-09 EP claimed
US-6576133-B2 Rna mixture TRANSGENOMIC, INC 2003-06-10 US claimed
US-20030102260-A1 Non-polar media for polynucloetide separations TRANSGENOMIC, INC. (US) 2003-06-05 US claimed
US-20030082562-A1 Maxam gilbert g/a sequence analysis by DHPLC HORNBY DAVID P (GB) 2003-05-01 US claimed
US-20030075503-A1 Non-polar media for polynucleotide separations GJERDE DOUGLAS T (US) 2003-04-24 US claimed
EP-1299166-A1 POLYNUCLEOTIDE SEPARATIONS ON POLYMERIC SEPARATION MEDIA TRANSGENOMIC, Inc. (US) 2003-04-09 EP claimed
US-6524480-B2 Chromatography TRANSGENOMIC, INC. 2003-02-25 US claimed
WO-2001066218-A1 CHROMATOGRAPHIC METHOD FOR RNA STABILIZATION TRANSGENOMIC, INC. (US) 2001-09-13 WO claimed
WO-2001066216-A1 METHOD AND SYSTEM FOR RNA ANALYSIS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2001-09-13 WO claimed
WO-2001002418-A1 METHOD AND SYSTEM FOR RNA ANALYSIS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2001-01-11 WO claimed
EP-1056528-A1 METHOD FOR HIGH RESOLUTION LIQUID CHROMATOGRAPHIC SEPARATION OF POLYNUCLEOTIDES TRANSGENOMIC, Inc. (US) 2000-12-06 EP claimed
EP-1002137-A1 DENATURING MULTI ION POLYNUCLEOTIDE CHROMATOGRAPHY FOR DETECTING MUTATIONS TRANSGENOMIC, Inc. (US) 2000-05-24 EP claimed
US-6066258-A MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY. TRANSGENOMIC, INC. (US) 2000-05-23 US claimed
US-6056877-A APPLYING MIXTURE TO NONPOROUS BEADS WITH HYDROCARBON COATING; CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2000-05-02 US claimed
US-6024878-A CHROMATOGRAPHIC METHOD FOR SEPARATING A MIXTURE OF HETERODUPLEX AND HOMODUPLEX DNA MOLECULES UNDER CONDITIONS WHICH SELECTIVELY DENATURE A MUTATION SITE PRESENT IN THE HETERODUPLEX DNA MOLECULE TRANSGENOMIC, INC. (US) 2000-02-15 US claimed
WO-1999022839-A1 METHOD FOR HIGH RESOLUTION LIQUID CHROMATOGRAPHIC SEPARATION OF POLYNUCLEOTIDES TRANSGENOMIC, INC. (US) 1999-05-14 WO claimed
WO-1999007899-A1 DENATURING MULTI ION POLYNUCLEOTIDE CHROMATOGRAPHY FOR DETECTING MUTATIONS TRANSGENOMIC, INC. (US) 1999-02-18 WO claimed