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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 SCHEMBL7111911 | 0.94 | ALDH1A1 (0.47) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| Cyclohexane SCHEMBL1869516 | 0.94 | ALDH1A1 (0.47) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| SCHEMBL21059 | 0.88 | ALDH1A1 (0.51) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| Propionic Acid SCHEMBL28331586 | 0.87 | ALDH1A1 (0.46) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| SCHEMBL19259363 | 0.86 | ALDH1A1 (0.49) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| Acetic Acid SCHEMBL1471719 | 0.83 | EPHX2 (0.36) | ALDH1A1LMNAKMT2ANPSR1EPHX2 | |
| Propionic Acid SCHEMBL8758817 | 0.80 | CASP1 (0.56) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| Acetic Acid SCHEMBL28331584 | 0.79 | CASP1 (0.58) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| SCHEMBL28249481 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GAACASP1L3MBTL1LMNA | |
| Propionic Acid SCHEMBL27652846 | 0.77 | CASP1 (0.40) | ALDH1A1GAACASP1LMNATSHR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3596195-A1 | BENEFIT AGENT CONTAINING DELIVERY PARTICLE | The Procter and Gamble Company (US) | 2020-01-22 | — | — | EP | disclosed |
| EP-3596192-A1 | BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES | The Procter and Gamble Company (US) | 2020-01-22 | — | — | EP | disclosed |
| WO-2018169531-A1 | BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES | THE PROCTER & GAMBLE COMPANY (US) | 2018-09-20 | — | — | WO | disclosed |
| WO-2018169532-A1 | BENEFIT AGENT CONTAINING DELIVERY PARTICLE | THE PROCTER & GAMBLE COMPANY (US) | 2018-09-20 | — | — | WO | disclosed |
| WO-2017158497-A1 | HYDROPHOBICALLY MODIFIED UREA ETHERS AS STRUCTURANTS FOR HYDROPHOBIC SYSTEMS | PROCTER & GAMBLE INERNATIONAL OPERATIONS SA (CH) | 2017-09-21 | — | — | WO | disclosed |
| EP-2741731-A1 | ENCAPSULATES | The Procter and Gamble Company (US) | 2014-06-18 | — | — | EP | disclosed |
| WO-2013022949-A1 | ENCAPSULATES | THE PROCTER & GAMBLE COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |
| EP-2513280-A1 | COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM | The Procter & Gamble Company (US) | 2012-10-24 | — | — | EP | disclosed |
| EP-2512406-A1 | PERFUMES AND PERFUME ENCAPSULATES | The Procter & Gamble Company (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2012085864-A1 | ENCAPSULATES | PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011075551-A1 | PERFUMES AND PERFUME ENCAPSULATES | THE PROCTER & GAMBLE COMPANY (US) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011075556-A1 | COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM | THE PROCTER & GAMBLE COMPANY (US) | 2011-06-23 | — | — | WO | disclosed |