Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 4/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961789 | 1.00 | SRC (0.35) | SRCXIAPPOLBMAPTP2RX3 | |
| SCHEMBL26962024 | 0.94 | SRC (0.36) | SRCXIAPPOLBMAPTPDE4B | |
| SCHEMBL26961629 | 0.91 | TP53 (0.39) | SRCXIAPMAPTNPY1RALDH1A1 | |
| SCHEMBL29796779 | 0.89 | SRC (0.33) | SRCXIAPPOLBMAPTP2RX3 | |
| SCHEMBL26961883 | 0.89 | SRC (0.33) | SRCXIAPPOLBMAPTP2RX3 | |
| SCHEMBL29796830 | 0.83 | P2RX3 (0.33) | POLBMAPTP2RX3 | |
| SCHEMBL26961909 | 0.83 | P2RX3 (0.33) | POLBMAPTP2RX3 | |
| SCHEMBL29796933 | 0.83 | SRC (0.33) | SRCXIAPPOLBMAPTP2RX3 | |
| SCHEMBL26962006 | 0.83 | SRC (0.33) | SRCXIAPPOLBMAPTP2RX3 | |
| SCHEMBL26962145 | 0.82 | S1PR1 (0.33) | SRCXIAPPOLBMAPTP2RX3 |
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-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |
| WO-2022171745-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2022-08-18 | — | — | WO | disclosed |