Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPC3 | Q13507 | 1/20 | 0.36 |
| ▸ | TRPC7 | Q9HCX4 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.32 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961929 | 0.91 | PDK2 (0.34) | THRBSMN1; SMN2GPR119CCR1 | |
| SCHEMBL26962039 | 0.88 | XIAP (0.36) | TRPC3TRPC7NPY1RALDH1A1GPR119 | |
| SCHEMBL26961932 | 0.87 | NPY1R (0.32) | NPY1RCNR2CCR1 | |
| SCHEMBL26961807 | 0.85 | SMN1; SMN2 (0.34) | THRBSMN1; SMN2GPR119CNR1CNR2 | |
| SCHEMBL26962322 | 0.85 | PDE4B (0.33) | TRPC3TRPC7THRBNPY1RALDH1A1 | |
| SCHEMBL26961895 | 0.82 | THRB (0.35) | TRPC3TRPC7THRBNPY1RALDH1A1 | |
| SCHEMBL26962164 | 0.81 | PDK2 (0.33) | NPY1RSMN1; SMN2CCR1 | |
| SCHEMBL26961707 | 0.81 | CCR1 (0.33) | NPY1RCCR1 | |
| SCHEMBL26961147 | 0.79 | PDK2 (0.34) | THRBALDH1A1MAPTGPR119GAA | |
| SCHEMBL26961749 | 0.78 | AKT1 (0.33) | THRBNPY1RMAPT |
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 |