Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Metacresol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Metacresol SCHEMBL28306958 | 0.98 | ACHE (0.77) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL10695704 | 0.93 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL9774388 | 0.90 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL29352064 | 0.90 | — | — | |
| Metacresol SCHEMBL11437600 | 0.90 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL10736 | 0.90 | — | — | |
| Metacresol SCHEMBL2314567 | 0.90 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL6234380 | 0.87 | ACHE (0.94) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL7177747 | 0.87 | — | — | |
| Metacresol SCHEMBL7177742 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117756609-A | Preparation method of 3-methyl phenetole | 万华化学集团股份有限公司 | 2024-03-26 | — | — | CN | disclosed |