Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961653 | 1.00 | SRC (0.34) | SRCXIAPNPY1RMEN1KMT2A | |
| SCHEMBL29797032 | 0.95 | ABHD6 (0.33) | SRCXIAPNPY1RMEN1KMT2A | |
| SCHEMBL26961815 | 0.95 | ABHD6 (0.33) | SRCXIAPNPY1RMEN1KMT2A | |
| SCHEMBL26961809 | 0.88 | NPY1R (0.32) | NPY1RMEN1KMT2A | |
| SCHEMBL26961779 | 0.84 | SRC (0.39) | SRCXIAPNPY1R | |
| SCHEMBL29797058 | 0.84 | SRC (0.39) | SRCXIAPNPY1R | |
| SCHEMBL26961876 | 0.83 | SRC (0.31) | SRCNPY1R | |
| SCHEMBL29796709 | 0.83 | SRC (0.31) | SRCNPY1R | |
| SCHEMBL26962505 | 0.83 | ABHD6 (0.33) | NPY1RMEN1KMT2A | |
| SCHEMBL29796869 | 0.82 | POLB (0.30) | — |
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 |