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 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | FABP7 | O15540 | 1/20 | 0.51 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL112518 | 0.96 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL1871228 | 0.96 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| Anisole SCHEMBL5689485 | 0.93 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL19721780 | 0.91 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| Hydrogen Sulfide SCHEMBL28355876 | 0.88 | NPC1 (0.64) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL29700463 | 0.87 | FFAR1 (0.73) | ALDH1A1NPC1POLBRAB9AFFAR1 | |
| SCHEMBL292835 | 0.85 | NPC1 (0.59) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL132773 | 0.84 | ALDH1A1 (0.78) | ALDH1A1POLBMAPT | |
| SCHEMBL28250073 | 0.84 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL28954975 | 0.83 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A |
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 7 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 |
| 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 |