Known targets — ChEMBL curated mechanism
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 | 2/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 SCHEMBL29280489 | 0.85 | ACHE (0.81) | ACHECYP2C19CYP1A2ENPP2CA12 | |
| Metacresol SCHEMBL2314567 | 0.84 | ACHE (1.00) | ACHECYP2C19CYP1A2CA12CA2 | |
| Metacresol SCHEMBL9774388 | 0.84 | ACHE (1.00) | ACHECYP2C19CYP1A2CA12CA2 | |
| Metacresol SCHEMBL10736 | 0.84 | — | — | |
| Metacresol SCHEMBL11437600 | 0.84 | ACHE (1.00) | ACHECYP2C19CYP1A2CA12CA2 | |
| Metacresol SCHEMBL29352064 | 0.84 | — | — | |
| Metacresol SCHEMBL28306958 | 0.83 | ACHE (0.77) | ACHECYP2C19CYP1A2ENPP2CA12 | |
| Resorcinol SCHEMBL28993692 | 0.82 | ALDH1A1 (0.60) | ACHECYP1A2TAAR1DRD2DRD1 | |
| Metacresol SCHEMBL10695704 | 0.82 | ACHE (0.85) | ACHECYP2C19CYP1A2ENPP2CA12 | |
| Metacresol SCHEMBL6118712 | 0.82 | — | — |
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-111269328-A | Temperature response type eutectic solvent and extraction method of ganoderma lucidum polysaccharide | 中国农业科学院麻类研究所 | 2020-06-12 | — | — | CN | disclosed |