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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 9/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | SI | P14410 | 3/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL496215 | 0.87 | — | — | |
| Iodide SCHEMBL3377522 | 0.85 | — | — | |
| SCHEMBL28259274 | 0.78 | — | — | |
| SCHEMBL11840880 | 0.75 | — | — | |
| SCHEMBL27767524 | 0.73 | — | — | |
| Aminothiazole SCHEMBL1003511 | 0.72 | ALDH1A1 (0.68) | ALDH1A1GAAHTTHPGDNPC1 | |
| Aminothiazole SCHEMBL4466019 | 0.72 | ALDH1A1 (0.68) | ALDH1A1GAAHTTHPGDNPC1 | |
| SCHEMBL14452270 | 0.72 | FBP1 (0.45) | FBP1PDK1ALDH1A1FDPSHTR7 | |
| Aminothiazole SCHEMBL5907075 | 0.71 | ALDH1A1 (0.65) | ALDH1A1GAAHTTHPGDNPC1 | |
| Acetic Acid SCHEMBL1219077 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HTTPKMHPGDNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0402246-B1 | Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation | ROUSSEL UCLAF (FR) | 1994-08-24 | — | — | EP | disclosed |
| EP-0402246-A1 | Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation | ROUSSEL-UCLAF (FR) | 1990-12-12 | — | — | EP | disclosed |