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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28730389 | 0.86 | ALDH1A1 (0.47) | — | |
| Acetic Acid SCHEMBL4596057 | 0.86 | FFAR3 (0.47) | — | |
| Acetic Acid SCHEMBL11656191 | 0.84 | — | — | |
| Carbon Tetrachloride SCHEMBL3963583 | 0.84 | — | — | |
| Acetic Acid SCHEMBL7359120 | 0.83 | — | — | |
| Acetic Acid SCHEMBL9504377 | 0.81 | FFAR3 (0.41) | — | |
| Acetic Acid SCHEMBL28403863 | 0.80 | — | — | |
| Acetic Acid SCHEMBL3458387 | 0.80 | — | — | |
| Acetic Acid SCHEMBL27153896 | 0.80 | FFAR3 (0.58) | — | |
| Trichloroethane SCHEMBL14976936 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023038093-A1 | DEUTERIUM-ENRICHED COMPOSITION, DEUTERIUM-SUBSTITUTED CARBOXYLIC ACID PRODUCTION METHOD, REACTION ACCELERATOR, AND USE OF COMPOUND FOR CONVERTING CARBOXYLIC ACID TO ACID ANHYDRIDE | 国立大学法人九州大学 | 2023-03-16 | — | — | WO | disclosed |
| US-4738803-A | ENZYME INHIBITORS | ROQUES BERNARD (FR) | 1988-04-19 | — | — | US | disclosed |
| US-4618708-A | ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT | ROQUES BERNARD (FR) | 1986-10-21 | — | — | US | disclosed |