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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL10396896 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL455296 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL10397394 | 0.81 | TSHR (0.46) | — | |
| Crotonic Acid SCHEMBL10397225 | 0.79 | — | — | |
| Glycidol SCHEMBL3662603 | 0.72 | — | — | |
| Acetic Acid SCHEMBL3477510 | 0.70 | LMNA (0.39) | FFAR3LCKFYN | |
| Acetic Acid SCHEMBL1058296 | 0.68 | POLB (0.34) | FFAR3LCKFYN | |
| Acetone SCHEMBL9562373 | 0.67 | — | — | |
| SCHEMBL75036 | 0.67 | APLNR (0.35) | — | |
| SCHEMBL16962797 | 0.67 | — | — |
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-4975519-A | Novel polyacetal terpolymers of trioxane and alpha, alpha- and alpha, beta-isomers of glycerol formal and functional derivatives thereof | HOECHST CELANESE CORPORATION (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0398585-A2 | Novel polyacetal terpolymers of trioxane and alpha, alpha-and alpha, beta-isomers of glycerol formal and functional derivatives thereof | HOECHST CELANESE CORPORATION (US) | 1990-11-22 | — | — | EP | disclosed |