Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 3/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961607 | 1.00 | PDE4B (0.34) | PDE4BKITSMOPARP1HRH3 | |
| SCHEMBL26962010 | 0.88 | RIPK1 (0.36) | PDE4BKITSMOPARP1HRH3 | |
| SCHEMBL26962145 | 0.86 | S1PR1 (0.33) | PDE4BKITPARP1RORC | |
| SCHEMBL30675704 | 0.83 | USP30 (0.36) | HRH3 | |
| SCHEMBL29270817 | 0.83 | USP30 (0.36) | HRH3 | |
| SCHEMBL26962068 | 0.78 | S1PR1 (0.33) | PDE4BKITPARP1RORC | |
| SCHEMBL26962059 | 0.78 | S1PR1 (0.32) | PDE4BKITPARP1RORC | |
| SCHEMBL31628095 | 0.76 | GAA (0.36) | — | |
| SCHEMBL31375533 | 0.75 | HDAC6 (0.40) | — | |
| SCHEMBL31628392 | 0.75 | HDAC6 (0.40) | — |
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 |