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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8027206 | 1.00 | KDM4E (0.47) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| Acetic Acid SCHEMBL8037504 | 1.00 | KDM4E (0.47) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| Acetic Acid SCHEMBL8027211 | 1.00 | KDM4E (0.47) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| Xylose SCHEMBL8770995 | 0.90 | KDM4E (0.39) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| Acetic Acid SCHEMBL8040523 | 0.88 | USP2 (0.38) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| Acetic Acid SCHEMBL8039043 | 0.88 | USP2 (0.38) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| SCHEMBL8038605 | 0.87 | KDM4E (0.52) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| SCHEMBL8027212 | 0.87 | KDM4E (0.52) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| SCHEMBL8043336 | 0.87 | KDM4E (0.52) | KDM4EUSP2SLCO1B1PDE4ALMNA | |
| SCHEMBL8043354 | 0.87 | KDM4E (0.52) | KDM4EUSP2SLCO1B1PDE4ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0796241-B1 | COMPOUNDS AND METHODS FOR MONOSACCHARIDE ANALYSIS | BENDIAK BRAD K (US) | 2000-04-05 | — | — | EP | disclosed |
| US-5585473-A | Compounds and methods for monosaccharide analysis | THE BIOMEMBRANE INSTITUTE (US) | 1996-12-17 | — | — | US | disclosed |