Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29667022 | 0.81 | CYP3A4 (0.50) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28124497 | 0.74 | CYP3A4 (0.55) | CYP3A4TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL92784 | 0.74 | TAAR1 (0.60) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL108087 | 0.73 | TAAR1 (0.77) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL109195 | 0.73 | TAAR1 (0.64) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6630039 | 0.73 | CYP3A4 (0.62) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL108109 | 0.71 | TAAR1 (0.62) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL529821 | 0.71 | TAAR1 (0.62) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| Ethane SCHEMBL11863120 | 0.71 | CYP3A4 (0.61) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL429483 | 0.71 | TAAR1 (0.67) | CYP3A4TAAR1SLC6A4SLC6A2SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012173842-A2 | PURIFICATION PROCESS FOR PARA-METHALLYLPYROCATECHOL | FMC CORPORATION (US) | 2012-12-20 | — | — | WO | claimed |
| WO-2012173842-A2 | PURIFICATION PROCESS FOR PARA-METHALLYLPYROCATECHOL | FMC CORPORATION (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012173842-A2 | PURIFICATION PROCESS FOR PARA-METHALLYLPYROCATECHOL | FMC CORPORATION (US) | 2012-12-20 | — | — | WO | disclosed |