Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270695 | 0.93 | HDAC6 (0.34) | S1PR1HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL29270750 | 0.87 | P2RX3 (0.33) | S1PR1BDKRB1TP53 | |
| SCHEMBL26962186 | 0.83 | HDAC6 (0.36) | HDAC6HDAC1HDAC8BDKRB1HDAC5 | |
| SCHEMBL29270692 | 0.83 | AGTR1 (0.36) | TP53 | |
| SCHEMBL29270730 | 0.83 | CNR2 (0.32) | TP53 | |
| SCHEMBL29270721 | 0.83 | CNR2 (0.32) | TP53 | |
| SCHEMBL29270744 | 0.83 | TP53 (0.34) | TP53 | |
| SCHEMBL29270781 | 0.82 | TP53 (0.37) | TP53 | |
| SCHEMBL29270756 | 0.82 | HCRTR1 (0.32) | — | |
| SCHEMBL29270765 | 0.82 | TP53 (0.30) | TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |