Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 15/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 15/20 | 0.45 |
| ▸ | RXRA | P19793 | 13/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21612026 | 1.00 | CYP2C19 (0.45) | CYP2C19CYP3A4GRIN1GRIN2BRXRA | |
| SCHEMBL21611984 | 0.91 | GRIN1 (0.48) | CYP2C19GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL21611956 | 0.90 | CYP2C19 (0.45) | CYP2C19CYP3A4GRIN1GRIN2BRXRA | |
| SCHEMBL21614764 | 0.88 | CYP2C19 (0.54) | CYP2C19CYP3A4GRIN1GRIN2BRXRA | |
| SCHEMBL21614690 | 0.88 | CYP2C19 (0.61) | CYP2C19CYP3A4GRIN1GRIN2BRXRA | |
| SCHEMBL23611379 | 0.85 | GRIN1 (0.42) | CYP2C19CYP3A4GRIN1GRIN2BRXRA | |
| SCHEMBL30060456 | 0.85 | CYP2C19 (0.43) | CYP2C19CYP3A4GRIN1GRIN2BRXRA | |
| SCHEMBL21614756 | 0.84 | CYP2C9 (0.41) | CYP2C19CYP2C9 | |
| SCHEMBL21611994 | 0.81 | GRIN1 (0.46) | CYP2C19GRIN1GRIN2BRXRAKCNH2 | |
| SCHEMBL23611303 | 0.80 | S1PR1 (0.43) | CYP2C19GRIN1GRIN2BRXRAKCNH2 |
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 |