Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 5/20 | 0.40 |
| ▸ | F3 | P13726 | 5/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26962156 | 1.00 | XIAP (0.44) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL29796999 | 0.93 | SRC (0.40) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL20263960 | 0.93 | NPC1 (0.42) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL26961959 | 0.92 | NPC1 (0.41) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL29796823 | 0.92 | NPC1 (0.41) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL20264009 | 0.91 | XIAP (0.43) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL29797006 | 0.90 | SRC (0.40) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL26961709 | 0.90 | SRC (0.40) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL20264085 | 0.89 | NPC1 (0.44) | XIAPSRCNPC1NPY1RF7 | |
| SCHEMBL20264177 | 0.88 | NPC1 (0.43) | XIAPSRCNPC1NPY1RF7 |
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 |