Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961664 | 0.94 | GCGR (0.35) | NPY1RHDAC6 | |
| SCHEMBL26962398 | 0.90 | HDAC6 (0.36) | NPY1RHDAC6HCRTR1HCRTR2 | |
| SCHEMBL26961619 | 0.87 | NPY1R (0.32) | NPY1RHDAC6 | |
| SCHEMBL26961779 | 0.86 | SRC (0.39) | NPY1RHDAC6HCRTR1HCRTR2S1PR4 | |
| SCHEMBL29797058 | 0.86 | SRC (0.39) | NPY1RHDAC6HCRTR1HCRTR2S1PR4 | |
| SCHEMBL26961450 | 0.85 | HCRTR1 (0.36) | HCRTR1HCRTR2S1PR4S1PR1S1PR5 | |
| SCHEMBL26961809 | 0.85 | NPY1R (0.32) | NPY1R | |
| SCHEMBL26961717 | 0.83 | HDAC6 (0.34) | NPY1RHDAC6 | |
| SCHEMBL26962002 | 0.83 | DGAT1 (0.37) | NPY1RHDAC6 | |
| SCHEMBL26961880 | 0.82 | KCNN4 (0.33) | NPY1R |
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 |