Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 9/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30675699 | 0.67 | HDAC1 (0.46) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL30675667 | 0.67 | HDAC1 (0.49) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL13180348 | 0.65 | RXRA (0.64) | RXRAGRIN1GRIN2BNOTUM | |
| SCHEMBL30675680 | 0.64 | PLAT (0.36) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL8853758 | 0.63 | LMNA (0.54) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL30675755 | 0.63 | HDAC1 (0.51) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL14302898 | 0.63 | NOTUM (0.71) | RXRAGRIN1GRIN2BNOTUM | |
| SCHEMBL5507140 | 0.63 | HDAC1 (0.57) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL5638460 | 0.60 | KMT2A (0.62) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL8853694 | 0.60 | MAOA (0.57) | HDAC1HDAC8HDAC6TP53LMNA |
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 |