Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | RXRA | P19793 | 10/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 10/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 4/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL30371204 | 0.93 | CYP3A4 (0.54) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611383 | 0.91 | CYP3A4 (0.53) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL30061972 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611357 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611398 | 0.87 | CYP3A4 (0.64) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21612020 | 0.82 | CYP2C19 (0.73) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21612049 | 0.82 | CYP3A4 (0.73) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21612055 | 0.82 | CYP3A4 (0.73) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL23611379 | 0.80 | GRIN1 (0.42) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614628 | 0.79 | CYP3A4 (1.00) | 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-B1 | PYRIDINE AND PYRIMIDINE DERIVATIVES USEFUL AS PQSR INVERSE AGONISTS | HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) | 2025-10-08 | — | — | EP | disclosed |