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.
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10704742 | 0.91 | — | — | |
| Oxalic Acid SCHEMBL736573 | 0.88 | POLB (0.36) | — | |
| Acetic Acid SCHEMBL3963058 | 0.88 | SMYD3 (0.40) | — | |
| Acetic Acid SCHEMBL1763467 | 0.88 | SMYD3 (0.40) | — | |
| Acetic Acid SCHEMBL1764166 | 0.88 | SMYD3 (0.40) | — | |
| Acetic Acid SCHEMBL6914578 | 0.87 | EPHX1 (0.48) | — | |
| Acetic Acid SCHEMBL27892025 | 0.83 | EPHX1 (0.52) | — | |
| Acetic Acid SCHEMBL4877406 | 0.83 | PIK3CD (0.35) | — | |
| SCHEMBL13282349 | 0.81 | EPHX2 (0.36) | — | |
| SCHEMBL21452802 | 0.81 | ATM (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7241893-B2 | Thiazolinone 2-substituted quinolines | HOFFMAN-LA ROCHE INC. (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1791836-A1 | THIAZOLINONE 2-SUBSTITUTED QUINOLINES | F. Hoffmann-Roche AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| US-20060063804-A1 | Thiazolinone 2-substituted quinolines | CHEN LI | 2006-03-23 | — | — | US | disclosed |
| WO-2006029863-A1 | THIAZOLINONE 2-SUBSTITUTED QUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-23 | — | — | WO | disclosed |