Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Phenyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | GGT1 | P19440 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
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 Phenyl Ester SCHEMBL8006186 | 0.98 | ELANE (0.60) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL11119435 | 0.96 | ELANE (0.58) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL11118600 | 0.96 | ELANE (0.58) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL8190438 | 0.92 | ELANE (0.58) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL2687129 | 0.91 | ELANE (0.62) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL6422166 | 0.91 | ELANE (0.72) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL35500 | 0.91 | ELANE (0.72) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL8884506 | 0.89 | ELANE (0.60) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL388843 | 0.89 | ELANE (0.69) | ELANEMAPTALDH1A1GAAHSP90AA1 | |
| Acetic Acid Phenyl Ester SCHEMBL11787346 | 0.89 | ELANE (0.69) | ELANEMAPTALDH1A1GAAHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496682-A1 | DELIVERY PARTICLE | The Procter & Gamble Company (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011056935-A1 | DELIVERY PARTICLE | THE PROCTER & GAMBLE COMPANY (US) | 2011-05-12 | — | — | WO | disclosed |