Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | GRIN1 | Q05586 | 13/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 13/20 | 0.49 |
| ▸ | RXRA | P19793 | 12/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25401628 | 1.00 | CYP3A4 (0.66) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL21614734 | 0.88 | CYP3A4 (0.67) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL21612038 | 0.88 | CYP3A4 (0.73) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL21612016 | 0.88 | CYP3A4 (0.66) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL21612051 | 0.86 | CYP3A4 (0.72) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL30763498 | 0.86 | CYP3A4 (0.72) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26260506 | 0.86 | CYP3A4 (0.69) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL21614649 | 0.85 | CYP3A4 (0.63) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL30040629 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26260511 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2C19GRIN1GRIN2BRXRA |
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-4085054-A1 | NEW PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |