Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | GPR88 | Q9GZN0 | 14/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15219719 | 1.00 | ITK (0.46) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL29730159 | 0.84 | RIPK1 (0.48) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL3596616 | 0.84 | RIPK1 (0.48) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL13167851 | 0.84 | RIPK1 (0.48) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL31332780 | 0.84 | RIPK1 (0.48) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL1207556 | 0.84 | RIPK1 (0.48) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL2518996 | 0.84 | RIPK1 (0.48) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL30243669 | 0.83 | GPR88 (0.45) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL18706738 | 0.82 | ITK (0.51) | ITKGPR88RIPK1ALDH1A1NPC1 | |
| SCHEMBL902409 | 0.79 | KDM4E (0.51) | ITKGPR88MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4397309-A2 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2024-07-10 | — | — | EP | disclosed |