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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 SCHEMBL13280630 | 1.00 | EPHX1 (0.57) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL12449336 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL21250767 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL13271704 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL4256862 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL23722957 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL17255739 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL57396 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL18844821 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 | |
| SCHEMBL891570 | 0.97 | EPHX1 (0.60) | EPHX1ALDH1A1HPGDCYP19A1TRPA1 |
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-2621462-A1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | The Procter and Gamble Company (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044728-A1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | THE PROCTER & GAMBLE COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |