Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 5/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 5/20 | 0.31 |
| ▸ | F3 | P13726 | 5/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961779 | 1.00 | SRC (0.39) | SRCXIAPNPY1RHDAC6RIPK1 | |
| SCHEMBL29796984 | 0.94 | SRC (0.38) | SRCXIAPNPY1RHDAC6 | |
| SCHEMBL26962177 | 0.94 | SRC (0.38) | SRCXIAPNPY1RHDAC6 | |
| SCHEMBL26962547 | 0.87 | SRC (0.36) | SRCXIAPNPY1RHDAC6 | |
| SCHEMBL26961640 | 0.86 | NPY1R (0.35) | NPY1RHDAC6HCRTR1HCRTR2S1PR4 | |
| SCHEMBL26962291 | 0.85 | SRC (0.37) | SRCXIAPNPY1RHDAC6SCN9A | |
| SCHEMBL29796785 | 0.84 | SRC (0.34) | SRCXIAPNPY1R | |
| SCHEMBL26961653 | 0.84 | SRC (0.34) | SRCXIAPNPY1R | |
| SCHEMBL29796857 | 0.83 | SRC (0.36) | SRCXIAPNPY1RHCRTR1HCRTR2 | |
| SCHEMBL26961825 | 0.83 | SRC (0.36) | SRCXIAPNPY1RHCRTR1HCRTR2 |
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 |