Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.34 |
| ▸ | XIAP | P98170 | 2/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CCKBR | P32239 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961673 | 1.00 | POLB (0.36) | POLBMAPTRIPK1P2RX3XIAP | |
| SCHEMBL29796828 | 0.88 | HDAC6 (0.38) | POLBMAPTRIPK1P2RX3BDKRB1 | |
| SCHEMBL26961865 | 0.88 | HDAC6 (0.38) | POLBMAPTRIPK1P2RX3BDKRB1 | |
| SCHEMBL26961797 | 0.88 | AGTR1 (0.37) | POLBMAPTRIPK1P2RX3NPY1R | |
| SCHEMBL26961897 | 0.87 | MAPT (0.41) | POLBMAPTP2RX3XIAPNPY1R | |
| SCHEMBL26961670 | 0.86 | BDKRB1 (0.35) | POLBMAPTRIPK1P2RX3XIAP | |
| SCHEMBL29796826 | 0.85 | POLB (0.35) | POLBMAPTP2RX3XIAPNPY1R | |
| SCHEMBL26961878 | 0.85 | POLB (0.35) | POLBMAPTP2RX3XIAPNPY1R | |
| SCHEMBL26961858 | 0.85 | POLB (0.35) | POLBMAPTRIPK1P2RX3XIAP | |
| SCHEMBL29796949 | 0.84 | POLB (0.35) | POLBMAPTP2RX3XIAPNPY1R |
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 |