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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KISS1R | Q969F8 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 SCHEMBL5025245 | 0.87 | MMP1 (0.37) | FFAR3LCKFYNTP53TDP1 | |
| Acetic Acid SCHEMBL5087420 | 0.85 | GABRR1 (0.43) | FFAR3LCKFYNTP53ALDH1A1 | |
| Acetic Acid SCHEMBL8775545 | 0.85 | GABRR1 (0.43) | FFAR3LCKFYNTP53ALDH1A1 | |
| SCHEMBL525195 | 0.85 | LMNA (0.36) | CYP2D6ALDH1A1TDP1 | |
| Acetic Acid SCHEMBL10524376 | 0.84 | GABRR1 (0.41) | FFAR3LCKFYNTP53 | |
| Acetic Acid SCHEMBL29012712 | 0.84 | GABRR1 (0.41) | FFAR3LCKFYNTP53 | |
| Acetic Acid SCHEMBL5027803 | 0.84 | ALOX15 (0.43) | ALDH1A1MEN1KMT2A | |
| SCHEMBL18307273 | 0.82 | KDM4E (0.48) | ALDH1A1MEN1KMT2A | |
| Acetic Acid SCHEMBL29259484 | 0.82 | GABRR1 (0.40) | — | |
| Acetic Acid SCHEMBL8850219 | 0.81 | FFAR3 (0.37) | FFAR3LCKFYNTP53CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1650214-B1 | Silicon compound | CHISSO CORP (JP) | 2009-11-04 | — | — | EP | disclosed |
| US-7256243-B2 | Silicon compound | CHISSO CORPORATION (JP) | 2007-08-14 | — | — | US | disclosed |
| EP-1650214-A2 | Silicon compound | CHISSO CORPORATION (JP) | 2006-04-26 | — | — | EP | disclosed |
| US-20050250925-A1 | Silicon compound | JNC CORPORATION (JP) | 2005-11-10 | — | — | US | disclosed |