Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.33 |
| ▸ | TRPC7 | Q9HCX4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 3/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 2/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | XIAP | P98170 | 1/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961935 | 0.93 | BDKRB1 (0.34) | THRBMAPTBDKRB1S1PR1SMO | |
| SCHEMBL26961838 | 0.90 | BDKRB1 (0.34) | THRBBDKRB1S1PR1SMO | |
| SCHEMBL26961839 | 0.89 | BDKRB1 (0.35) | THRBNPY1RBDKRB1S1PR1 | |
| SCHEMBL26962129 | 0.88 | TRPC3 (0.34) | THRBTRPC3TRPC7MAPTNPY1R | |
| SCHEMBL26961648 | 0.88 | BDKRB1 (0.35) | BDKRB1S1PR1HDAC1HDAC8HDAC6 | |
| SCHEMBL26961633 | 0.87 | BDKRB1 (0.35) | MAPTNPY1RBDKRB1S1PR1HDAC1 | |
| SCHEMBL26962059 | 0.85 | S1PR1 (0.32) | THRBNPY1RS1PR1RORCPARP1 | |
| SCHEMBL26962021 | 0.84 | BDKRB1 (0.36) | MAPTNPY1RBDKRB1S1PR1XIAP | |
| SCHEMBL26961786 | 0.84 | BDKRB1 (0.33) | BDKRB1 | |
| SCHEMBL26961800 | 0.81 | HDAC6 (0.38) | MAPTNPY1RBDKRB1S1PR1XIAP |
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-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |