Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.35 |
| ▸ | SRC | P12931 | 3/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961758 | 1.00 | HDAC6 (0.35) | HDAC6HDAC1HDAC8SRCHDAC5 | |
| SCHEMBL26961865 | 0.88 | HDAC6 (0.38) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL29796828 | 0.88 | HDAC6 (0.38) | HDAC6HDAC1HDAC8HDAC5HDAC4 | |
| SCHEMBL29796770 | 0.88 | HDAC6 (0.37) | HDAC6HDAC1HDAC8SRCHDAC5 | |
| SCHEMBL26961676 | 0.88 | HDAC6 (0.37) | HDAC6HDAC1HDAC8SRCHDAC5 | |
| SCHEMBL26962130 | 0.87 | HDAC6 (0.35) | HDAC6HDAC1HDAC8HDAC5ACACB | |
| SCHEMBL29796881 | 0.85 | SRC (0.36) | SRCACACBP2RX3MCHR1 | |
| SCHEMBL26962280 | 0.85 | SRC (0.36) | SRCACACBP2RX3MCHR1 | |
| SCHEMBL30830344 | 0.84 | HDAC6 (0.37) | HDAC6HDAC1HDAC8SRCHDAC5 | |
| SCHEMBL26961940 | 0.83 | SRC (0.36) | HDAC1SRCACACBP2RX3MCHR1 |
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 |