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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL31395241 | 0.97 | ALDH1A1 (0.63) | ALDH1A1ALOX15LMNAHSD17B10PTPN1 | |
| SCHEMBL1871028 | 0.95 | ALDH1A1 (0.65) | ALDH1A1ALOX15LMNAHSD17B10PTPN1 | |
| SCHEMBL113776 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL18344252 | 0.88 | ALDH1A1 (0.59) | ALDH1A1ALOX15LMNAHSD17B10PTPN1 | |
| SCHEMBL11047528 | 0.84 | ALDH1A1 (0.55) | ALDH1A1ALOX15LMNAHSD17B10PTPN1 | |
| SCHEMBL29411179 | 0.83 | ALOX15 (0.70) | ALDH1A1ALOX15TRPV1KDM4EATM | |
| SCHEMBL9544224 | 0.82 | — | — | |
| Neryl Acetate SCHEMBL5306553 | 0.82 | ALDH1A1 (0.93) | ALDH1A1ALOX15TRPV1KDM4EATM | |
| Geranyl Acetate SCHEMBL16756649 | 0.82 | ALDH1A1 (0.93) | ALDH1A1ALOX15TRPV1KDM4EATM | |
| SCHEMBL6913629 | 0.79 | ALDH1A1 (0.48) | ALDH1A1ALOX15MMP1MMP2MMP9 |
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-2017196762-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| WO-2017196763-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 |