Acetic Acid

Acetic Acid

SCHEMBL27458299

CC(=O)O.CC(O)(O)NO

nearest known ligand 0.47

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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
FFAR3 O14843 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.39
CA2 P00918 1/20 0.39
PTGS1 P23219 1/20 0.39
MMP12 P39900 1/20 0.39
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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 SCHEMBL283399 0.83 FFAR3 (0.50) FFAR3LCKFYNALDH1A1TSHR
SCHEMBL122036 0.82
Acetic Acid SCHEMBL7862250 0.80 FFAR3 (0.47) FFAR3LCKFYNALDH1A1TSHR
Tert-Butanol SCHEMBL6273948 0.78
Hydrochloric Acid SCHEMBL11060692 0.78
Tert-Butanol SCHEMBL28003770 0.74 FFAR3 (0.58) FFAR3LCKFYNALDH1A1TSHR
Acetic Acid SCHEMBL29127390 0.74 FFAR3 (0.58) FFAR3LCKFYNALDH1A1TSHR
Acetic Acid SCHEMBL28764933 0.72
Bicarbonate SCHEMBL28549988 0.72 TSHR (0.41) FFAR3LCKFYNALDH1A1TSHR
Acetic Acid SCHEMBL28597052 0.70 FFAR3 (0.64) FFAR3LCKFYNALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100572561-C One pipe method half-nest type PCR detection reagent and detection method of Vibrio vulnificus UNIV HAINAN (CN) 2009-12-23 CN claimed
CN-100557026-C The test kit of rapid detection vibrio proteolyticus and detection method thereof UNIV JINAN (CN) 2009-11-04 CN claimed
CN-100543147-C Accurately identify the test kit and the authentication method thereof of Nian and southern catfish UNIV SOUTHWEST (CN) 2009-09-23 CN claimed
CN-100487134-C Reagent kit and detection method for quickly detecting shark vibrio UNIV JINAN (CN) 2009-05-13 CN claimed
CN-101200756-A Reagent kit for rapid detection of vibrio harveyi and detection method thereof UNIV GUANGDONG OCEAN (CN) 2008-06-18 CN claimed
CN-101200757-A Rapid detection reagent kit for human great pathogen-comma bacillus and detection method thereof UNIV GUANGDONG OCEAN (CN) 2008-06-18 CN claimed
CN-101024858-A Reagent box for accurately discriminating catfish and large-mouth catfish and discrimination method XINAN UNIV (CN) 2007-08-29 CN claimed
CN-1995372-A Reagent kit and detection method for quickly detecting shark vibrio UNIV JINAN (CN) 2007-07-11 CN claimed
CN-1974785-A Reagent kit for fast detection of vibrio proteolyticus and its detection process UNIV JINAN (CN) 2007-06-06 CN claimed
CN-1232653-C Kit for fast test of vibrio harveyi and the test method thereof SOUTH CHINA SEA INST OCEANOLOG (CN) 2005-12-21 CN claimed
CN-1232654-C Reagent kit for quick test of vibrio vulnificus and the test method thereof SOUTH CHINA SEA INST OCEANOLOG (CN) 2005-12-21 CN claimed
CN-1166783-C Reagent kit and process for quickly detecting schwann's bacterial of alga 中国科学院南海海洋研究所 2004-09-15 CN claimed
CN-1527057-A Reagent kit for quick test of vibrio vulnificus and the test method thereof 中国科学院南海海洋研究所 2004-09-08 CN claimed
CN-1527056-A Kit for fast test of vibrio harveyi and the test method thereof 中国科学院南海海洋研究所 2004-09-08 CN claimed
CN-1142291-C Reagent kit and method for quickly detecting alga-dissolving vibrio 中国科学院南海海洋研究所 2004-03-17 CN claimed
CN-1373358-A Reagent kit and method for quickly detecting alga-dissolving vibrio NANHAI INST OF OCEANOLOGY CHIN (CN) 2002-10-09 CN claimed
CN-1363685-A Reagent kit and process for quickly detecting schwann's bacterial of alga NANHAI INST OF OCEANOLOGY CHIN (CN) 2002-08-14 CN claimed
CN-100572561-C One pipe method half-nest type PCR detection reagent and detection method of Vibrio vulnificus UNIV HAINAN (CN) 2009-12-23 CN disclosed
CN-1995372-A Reagent kit and detection method for quickly detecting shark vibrio UNIV JINAN (CN) 2007-07-11 CN disclosed
CN-1974785-A Reagent kit for fast detection of vibrio proteolyticus and its detection process UNIV JINAN (CN) 2007-06-06 CN disclosed