Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | RXRA | P19793 | 11/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | DDX3X | O00571 | 5/20 | 0.42 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26260562 | 1.00 | CYP3A4 (0.69) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL26260513 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL30040797 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614635 | 0.89 | CYP3A4 (0.78) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614747 | 0.87 | CYP2C19 (0.67) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614644 | 0.85 | CYP3A4 (0.74) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614730 | 0.83 | CYP3A4 (0.81) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614679 | 0.83 | CYP3A4 (0.68) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21611968 | 0.83 | CYP3A4 (0.74) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL26261218 | 0.83 | CYP3A4 (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4085054-B1 | NEW PQSR INVERSE AGONISTS | HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) | 2025-02-19 | — | — | EP | disclosed |
| EP-4085054-A1 | NEW PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |