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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 SCHEMBL30898570 | 0.94 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL11779020 | 0.94 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28917357 | 0.94 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28598114 | 0.94 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Propionic Acid SCHEMBL3115354 | 0.86 | CA1 (0.50) | CES1CA1CES2FFAR3HDAC3 | |
| Propionic Acid SCHEMBL9548175 | 0.86 | CA1 (0.50) | CES1CA1CES2FFAR3HDAC3 | |
| Acetone SCHEMBL8603875 | 0.86 | CES1 (0.48) | CES1CA1CES2ALDH1A1 | |
| Acetone SCHEMBL27751289 | 0.86 | CES1 (0.48) | CES1CA1CES2ALDH1A1 | |
| Methacrylic Acid SCHEMBL2158432 | 0.85 | TSHR (0.39) | CES1CA1CES2FFAR3HDAC3 | |
| Acetoacetic Acid SCHEMBL7789780 | 0.84 | CA1 (0.43) | CES1CA1CES2FFAR3HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5169969-A | Anhydrous reaction of two different metal alkoxides with a carboxylic acid | AKZO NV (NL) | 1992-12-08 | — | — | US | disclosed |
| US-5034550-A | Reaction of heavy metal tetraalkoxide and heavy metal tricarboxylate, distillation to purify | AKZO N.V. (NL) | 1991-07-23 | — | — | US | disclosed |