Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL49999 | 0.85 | — | — | |
| Metacresol SCHEMBL28155447 | 0.81 | ACHE (0.90) | ACHECYP1A2CYP2C19ALDH1A1MAPK1 | |
| Metacresol SCHEMBL10736 | 0.81 | — | — | |
| Metacresol SCHEMBL11437600 | 0.81 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1MAPK1 | |
| Metacresol SCHEMBL2314567 | 0.81 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1MAPK1 | |
| Metacresol SCHEMBL9774388 | 0.81 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1MAPK1 | |
| Metacresol SCHEMBL29352064 | 0.81 | — | — | |
| Metacresol SCHEMBL28289101 | 0.79 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1MAPK1 | |
| Metacresol SCHEMBL7177747 | 0.79 | — | — | |
| Metacresol SCHEMBL10008998 | 0.79 | ACHE (0.94) | ACHECYP1A2CYP2C19ALDH1A1MAPK1 |
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-3162786-B1 | METHOD FOR PRODUCING 4-ISOPROPYL-3-METHYLPHENOL | OSAKA KASEI CO LTD (JP) | 2019-08-28 | — | — | EP | claimed |