Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20170653 | 0.74 | GAA (0.42) | CYP3A4CYP2D6KDM4EMAPTBCHE | |
| SCHEMBL18473422 | 0.73 | KDM4E (0.37) | CYP3A4CYP2D6KDM4EMAPTMRGPRX2 | |
| SCHEMBL26205690 | 0.72 | BCHE (0.39) | CYP3A4CYP2D6KDM4EMAPTBCHE | |
| SCHEMBL20170881 | 0.70 | CYP1A2 (0.36) | CYP3A4CYP2D6KDM4EMAPTBCHE | |
| SCHEMBL14521377 | 0.65 | MAPT (0.46) | CYP3A4CYP2D6KDM4EMAPTMRGPRX2 | |
| SCHEMBL18473561 | 0.63 | GAA (0.37) | CYP3A4CYP2D6BCHEACHECYP1A2 | |
| SCHEMBL20170704 | 0.62 | DRD1 (0.38) | CYP3A4CYP2D6KDM4EL3MBTL1BCHE | |
| SCHEMBL15800519 | 0.62 | KDM4E (0.53) | CYP3A4CYP2D6KDM4EMAPTCYP1A2 | |
| SCHEMBL29885479 | 0.62 | MAOA (0.54) | CYP2D6KDM4EBCHEACHEHIF1A | |
| SCHEMBL21081223 | 0.61 | ACHE (0.34) | CYP3A4CYP2D6KDM4EMAPTBCHE |
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-2453895-B1 | (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF | MALLINCKRODT LLC (US) | 2018-05-23 | — | — | EP | disclosed |