Acetic Acid

Acetic Acid

SCHEMBL1404467

CC(=O)O.CCn1cnc2nc(N)n(Cl)c(=O)c21

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

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 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
ADORA2B P29275 1/20 0.34
BRD4 O60885 3/20 0.34
TRPA1 O75762 2/20 0.33
HPGD P15428 1/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7816003 0.71 HPGD (0.49) RXFP1KMT2AADORA2BHPGDGAA
SCHEMBL26248663 0.69 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7806218 0.65 GAA (0.48) ADORA2AKDM4EKMT2APDE4APDE4B
SCHEMBL8177043 0.64 ADORA2B (0.46) RXFP1KDM4EPDE4AADORA2BHPGD
SCHEMBL7812587 0.64 SMN1; SMN2 (0.46) RXFP1KMT2AADORA2BHPGDGAA
SCHEMBL23115569 0.64 SMN1; SMN2 (0.50) RXFP1KDM4EKMT2AADORA2BHPGD
SCHEMBL7809883 0.64 ADORA2A (0.47) ADORA2AKMT2APDE4APDE4BPDE4C
SCHEMBL3433600 0.64 SMN1; SMN2 (0.50) RXFP1KMT2APDE4APDE4BPDE4C
SCHEMBL25165796 0.63 TRPA1 (0.42) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL23718338 0.63 PDE4A (0.44) ADORA2ARXFP1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10036066-B2 In situ hybridization detection method DAKO DENMARK A/S (DK) 2018-07-31 US disclosed
US-9598720-B2 Monomeric and polymeric linkers useful for conjugating biological molecules and other substances DAKO DENMARK A/S (DK) 2017-03-21 US disclosed
US-20160273035-A1 IN SITU HYBRIDIZATION DETECTION METHOD DAKO DENMARK A/S (DK) 2016-09-22 US disclosed
EP-1919930-B1 NEW NUCLEIC ACID BASE PAIRS DAKO DENMARK AS (DK) 2016-09-14 EP disclosed
US-9340824-B2 Immunohistochemistry detection method DAKO DENMARK A/S (DK) 2016-05-17 US disclosed
US-9017992-B2 In situ hybridization detection method DAKO DENMARK A/S (DK) 2015-04-28 US disclosed
EP-1910575-B1 IMMUNOHISTOCHEMISTRY DETECTION METHOD DAKO DENMARK AS (DK) 2014-12-10 EP disclosed
US-20140315204-A1 Immunohistochemistry Detection Method DAKO DENMARK A/S (DK) 2014-10-23 US disclosed
US-8741566-B2 Immunohistochemistry and in situ hybridization detection method DAKO DENMARK A/S (DK) 2014-06-03 US disclosed
US-20140080145-A1 Monomeric and Polymeric Linkers Useful For Conjugating Biological Molecules and Other Substances DAKO DENMARK A/S (DK) 2014-03-20 US disclosed
EP-1919930-A2 NEW NUCLEIC ACID BASE PAIRS Dako Denmark A/S (DK) 2008-05-14 EP disclosed
EP-1920073-A2 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS Dako Denmark A/S (DK) 2008-05-14 EP disclosed
EP-1910575-A2 IMMUNOHISTOCHEMISTRY DETECTION METHOD Dako Denmark A/S (DK) 2008-04-16 EP disclosed
EP-1907592-A2 MONOMERIC AND POLYMERIC LINKERS USEFUL FOR CONJUGATING BIOLOGICAL MOLECULES AND OTHER SUBSTANCES Dako Denmark A/S (DK) 2008-04-09 EP disclosed
WO-2007031874-A9 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS DAKO DENMARK AS (DK) 2007-05-31 WO disclosed
WO-2007045998-A2 NEW NUCLEIC ACID BASE PAIRS DAKO DENMARK A/S (US) 2007-04-26 WO disclosed
WO-2007031874-A2 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS DAKO DENMARK A/S (US) 2007-03-22 WO disclosed
WO-2007026252-A2 IN SITU HYBRIDIZATION DETECTION METHOD DAKO DENMARK A/S (US) 2007-03-08 WO disclosed
WO-2007023390-A2 IMMUNOHISTOCHEMISTRY DETECTION METHOD DAKO DENMARK A/S (US) 2007-03-01 WO disclosed
WO-2007015168-A2 MONOMERIC AND POLYMERIC LINKERS USEFUL FOR CONJUGATING BIOLOGICAL MOLECULES AND OTHER SUBSTANCES DAKO DENMARK A/S (US) 2007-02-08 WO 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140080145-A1 Monomeric and Polymeric Linkers Useful For Conjugating Biological Molecules and Other Substances PCNA, DCLRE1A, TK1 ADORA2A 2722/4885RXFP1 2174/4885KDM4E 4606/4885

“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.