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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.60 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.60 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.49 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 2/20 | 0.49 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.49 |
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 SCHEMBL1171378 | 0.98 | FFAR1 (0.63) | FFAR1FFAR4GPR84NFKB1PSMD14 | |
| Acetic Acid SCHEMBL27652869 | 0.98 | FFAR1 (0.63) | FFAR1FFAR4GPR84NFKB1PSMD14 | |
| Bicarbonate SCHEMBL28829208 | 0.92 | FFAR1 (0.66) | FFAR1FFAR4GPR84NFKB1PSMD14 | |
| Acetic Acid SCHEMBL29020019 | 0.89 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| Acetic Acid SCHEMBL28707278 | 0.89 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| Acetic Acid SCHEMBL28392186 | 0.89 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| Acetic Acid SCHEMBL4019504 | 0.89 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| SCHEMBL12459736 | 0.89 | FFAR4 (0.54) | FFAR1FFAR4GPR84NFKB1PSMD14 | |
| SCHEMBL5414027 | 0.89 | FFAR4 (0.54) | FFAR1FFAR4GPR84NFKB1PSMD14 | |
| SCHEMBL304078 | 0.89 | FFAR4 (0.54) | FFAR1FFAR4GPR84NFKB1PSMD14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7678752-B2 | Fabric care composition comprising organosilicone microemulsion and anionic/nitrogen-containing surfactant system | THE PROCTER & GAMBLE COMPANY (US) | 2010-03-16 | — | — | US | disclosed |
| US-7384903-B2 | Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same | THE PROCTER & GAMBLE COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| US-6903061-B2 | Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same | THE PROCTER & GAMBLE COMPANY (US) | 2005-06-07 | — | — | US | disclosed |
| EP-1313828-A1 | FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME | The Procter & Gamble Company (US) | 2003-05-28 | — | — | EP | disclosed |
| US-20020103094-A1 | Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same | THE PROCTER & GAMBLE COMPANY | 2002-08-01 | — | — | US | disclosed |
| WO-2002018528-A1 | FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME | THE PROCTER & GAMBLE COMPANY (US) | 2002-03-07 | — | — | WO | disclosed |