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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 SCHEMBL10866598 | 0.81 | FFAR3 (0.47) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL10693304 | 0.81 | — | — | |
| Acetic Acid SCHEMBL4276426 | 0.79 | FFAR3 (0.44) | FFAR3LCKFYNTSHRALDH1A1 | |
| SCHEMBL201982 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL4604829 | 0.77 | FFAR3 (0.41) | FFAR3LCKFYNTSHRALDH1A1 | |
| Ethyl Acetate SCHEMBL9455899 | 0.76 | ALDH1A1 (0.61) | TSHRALDH1A1 | |
| Acetic Acid SCHEMBL4596057 | 0.75 | FFAR3 (0.47) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL28730389 | 0.75 | ALDH1A1 (0.47) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroethanol SCHEMBL7168912 | 0.74 | FFAR3 (0.39) | FFAR3LCKFYNTSHR | |
| Acetic Acid SCHEMBL2706810 | 0.73 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0357742-B1 | NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES | ROUSSEL-UCLAF (FR) | 1993-06-09 | — | — | EP | disclosed |
| EP-0357742-A1 | NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES. | ROUSSEL UCLAF (FR) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008096-A1 | NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES | ROUSSEL-UCLAF (FR) | 1989-09-08 | — | — | WO | disclosed |