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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5951012 | 0.91 | PKM (0.45) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL715000 | 0.91 | PKM (0.45) | TP53PKMHTTMEN1KMT2A | |
| Acetic Acid SCHEMBL8734367 | 0.87 | TLR4 (0.46) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL5951237 | 0.85 | CYP1A2 (0.52) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL5951088 | 0.85 | CYP1A2 (0.52) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL5951082 | 0.85 | CYP1A2 (0.52) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL5951084 | 0.85 | CYP1A2 (0.52) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL5951239 | 0.85 | CYP1A2 (0.52) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL4159836 | 0.84 | PKM (0.51) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL4159828 | 0.84 | PKM (0.51) | TP53PKMHTTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0742275-B1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORP (JP) | 2002-03-20 | — | — | EP | disclosed |
| US-5779936-A | FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE | CHISSO CORPORATION (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0742275-A1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORPORATION (JP) | 1996-11-13 | — | — | EP | disclosed |