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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.67 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9134369 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL1695757 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL1695502 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL10033955 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL10033782 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL9131984 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL397795 | 0.94 | NAAA (0.73) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL1313739 | 0.92 | NAAA (0.71) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL9778101 | 0.92 | NAAA (0.71) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL4994833 | 0.92 | NAAA (0.71) | NAAAEPHX1HTTCYP2C19CYP19A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455284-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2019-03-20 | — | — | EP | disclosed |
| WO-2017196763-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| WO-2017196762-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| EP-3218425-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016077513-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2016-05-19 | — | — | WO | disclosed |