Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
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 SCHEMBL28270337 | 0.91 | ACHE (0.77) | ACHECYP1A2CYP2C19CCNB2CDK1 | |
| Metacresol SCHEMBL28085167 | 0.91 | ACHE (0.77) | ACHECYP1A2CYP2C19CCNB2CDK1 | |
| Metacresol SCHEMBL29352064 | 0.88 | — | — | |
| Metacresol SCHEMBL2314567 | 0.88 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL9774388 | 0.88 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL10736 | 0.88 | — | — | |
| Metacresol SCHEMBL11437600 | 0.88 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL20678466 | 0.86 | ACHE (0.63) | ACHECYP1A2CYP2C19CCNB2CDK1 | |
| Metacresol SCHEMBL502469 | 0.86 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1CA12 | |
| Metacresol SCHEMBL5533065 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6232399-B1 | FLAME RETARDANT | BORDEN CHEMICAL, INC. | 2001-05-15 | — | — | US | claimed |