Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 6/20 | 0.35 |
| ▸ | GIPR | P48546 | 5/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | TEAD1 | P28347 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26962177 | 1.00 | SRC (0.38) | SRCXIAPGCGRGIPRHDAC6 | |
| SCHEMBL29797058 | 0.94 | SRC (0.39) | SRCXIAPHDAC6NPY1R | |
| SCHEMBL26961779 | 0.94 | SRC (0.39) | SRCXIAPHDAC6NPY1R | |
| SCHEMBL26962547 | 0.93 | SRC (0.36) | SRCXIAPGCGRGIPRHDAC6 | |
| SCHEMBL26962291 | 0.90 | SRC (0.37) | SRCXIAPGCGRGIPRHDAC6 | |
| SCHEMBL26961825 | 0.89 | SRC (0.36) | SRCXIAPGCGRGIPRGRM2 | |
| SCHEMBL29796857 | 0.89 | SRC (0.36) | SRCXIAPGCGRGIPRGRM2 | |
| SCHEMBL31143125 | 0.88 | SRC (0.36) | SRCXIAPGCGRGIPRGRM2 | |
| SCHEMBL26961664 | 0.85 | GCGR (0.35) | GCGRGIPRHDAC6GRM2NPY1R | |
| SCHEMBL26961957 | 0.85 | XIAP (0.35) | SRCXIAPHDAC6NPY1RCACNA1H |
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 |