Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20264153 | 1.00 | NPC1 (0.45) | NPC1XIAPTP53MAPTSMN1; SMN2 | |
| SCHEMBL20264030 | 0.93 | NPC1 (0.44) | NPC1XIAPTP53MAPTSMN1; SMN2 | |
| SCHEMBL20280018 | 0.93 | NPC1 (0.45) | NPC1XIAPTP53MAPTSMN1; SMN2 | |
| SCHEMBL20264216 | 0.92 | NPC1 (0.45) | NPC1XIAPTP53MAPTPOLB | |
| SCHEMBL20280006 | 0.92 | TP53 (0.51) | NPC1XIAPTP53MAPTSMN1; SMN2 | |
| SCHEMBL20286532 | 0.92 | NPC1 (0.45) | NPC1XIAPTP53MAPTSMN1; SMN2 | |
| SCHEMBL20264249 | 0.92 | NPC1 (0.45) | NPC1XIAPTP53MAPTNPY1R | |
| SCHEMBL20263940 | 0.92 | POLB (0.47) | NPC1XIAPTP53MAPTSMN1; SMN2 | |
| SCHEMBL20264032 | 0.92 | NPC1 (0.45) | NPC1XIAPTP53MAPTNPY1R | |
| SCHEMBL29796849 | 0.92 | TP53 (0.51) | NPC1XIAPTP53MAPTSMN1; SMN2 |
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 |