Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | RXRA | P19793 | 13/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 13/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 13/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | DDX3X | O00571 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30039507 | 0.87 | CYP3A4 (0.69) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL26260562 | 0.87 | CYP3A4 (0.69) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL21614635 | 0.86 | CYP3A4 (0.78) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL21614628 | 0.81 | CYP3A4 (1.00) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL21614644 | 0.80 | CYP3A4 (0.74) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL21611968 | 0.80 | CYP3A4 (0.74) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL21614670 | 0.79 | CYP3A4 (0.73) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL21612038 | 0.79 | CYP3A4 (0.73) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL26260506 | 0.79 | CYP3A4 (0.69) | CYP2C19CYP3A4RXRAGRIN1GRIN2B | |
| SCHEMBL30040797 | 0.79 | CYP3A4 (0.61) | CYP2C19CYP3A4RXRAGRIN1GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020007938-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-01-09 | — | — | WO | disclosed |