Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 17/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 17/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 17/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23611357 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611379 | 0.88 | GRIN1 (0.42) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL31694533 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611383 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL30060492 | 0.83 | MAPT (0.37) | CYP3A4CYP2C19 | |
| SCHEMBL21614764 | 0.83 | CYP2C19 (0.54) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611269 | 0.82 | ROCK1 (0.38) | CYP3A4CYP2C19 | |
| SCHEMBL30062611 | 0.82 | ROCK1 (0.38) | CYP3A4CYP2C19 | |
| SCHEMBL30371204 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614674 | 0.79 | CYP2C19 (0.74) | CYP3A4CYP2C19RXRAGRIN1GRIN2B |
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-4085057-A1 | NOVEL PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |