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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5951231 | 0.90 | TLR4 (0.41) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL4544760 | 0.90 | TLR4 (0.41) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| Acetic Acid SCHEMBL7511339 | 0.87 | TP53 (0.47) | TLR4CYP2C9LMNAMAPTPOLB | |
| SCHEMBL2234127 | 0.83 | CYP2C9 (0.39) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL1310398 | 0.82 | LMNA (0.50) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL10797746 | 0.82 | LMNA (0.50) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL10450963 | 0.82 | TLR4 (0.47) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL10797749 | 0.82 | LMNA (0.50) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL4159289 | 0.82 | LMNA (0.50) | TLR4CYP2C9LMNAMAPTALDH1A1 | |
| SCHEMBL10450965 | 0.82 | TLR4 (0.47) | TLR4CYP2C9LMNAMAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834490-A1 | COMPOUNDS HAVING ALKYL-SUBSTITUTED ALKENYLENE MOIETY AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1998-04-08 | — | — | EP | disclosed |