Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 3/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 2/20 | 0.39 |
| ▸ | F3 | P13726 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961734 | 1.00 | NPC1 (0.43) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL26961658 | 0.93 | XIAP (0.46) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL29796998 | 0.93 | XIAP (0.46) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL29270760 | 0.91 | TP53 (0.44) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL31374890 | 0.91 | TP53 (0.44) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL26961716 | 0.90 | NPC1 (0.46) | NPC1XIAPSRCTP53MAPT | |
| SCHEMBL29796781 | 0.89 | NPC1 (0.43) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL26961889 | 0.89 | NPC1 (0.43) | NPC1XIAPSRCNPY1RTP53 | |
| SCHEMBL29270735 | 0.88 | SRC (0.50) | XIAPSRCNPY1RF7F3 | |
| SCHEMBL29796823 | 0.87 | NPC1 (0.41) | NPC1XIAPSRCNPY1RTP53 |
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 |