Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 5/20 | 0.48 |
| ▸ | MMP9 | P14780 | 4/20 | 0.48 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | FCER2 | P06734 | 2/20 | 0.45 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL16886917 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL16886918 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL10478603 | 0.88 | ITGB3 (0.57) | CYP3A4CYP2C19CA1TSHRMMP2 | |
| SCHEMBL29459566 | 0.87 | MMP2 (0.61) | MMP2MMP9ADAMTS4POLBALDH1A1 | |
| SCHEMBL16886884 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL16886887 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL5313228 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL18198037 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL18198008 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C19CA12CA9CA1 | |
| SCHEMBL18198005 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C19CA12CA9CA1 |
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-9902726-B2 | Pyridone-sulfone morphinan analogs as opioid receptor ligands | PURDUE PHARMA L.P. (US) | 2018-02-27 | — | — | US | disclosed |