Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL23912807 | 0.83 | AR (0.41) | PIK3C3AR | |
| SCHEMBL16996869 | 0.76 | PIK3C3 (0.56) | PIK3C3ALDH1A1 | |
| SCHEMBL23912723 | 0.70 | HPGD (0.33) | PIK3C3ALDH1A1 | |
| SCHEMBL16926833 | 0.70 | PIK3C3 (0.59) | PIK3C3 | |
| SCHEMBL23912819 | 0.68 | PIK3C3 (0.34) | PIK3C3 | |
| SCHEMBL23912815 | 0.68 | PIK3C3 (0.34) | PIK3C3ALDH1A1 | |
| SCHEMBL16913924 | 0.67 | PIK3C3 (0.39) | PIK3C3ALDH1A1 | |
| SCHEMBL22695577 | 0.66 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL3830239 | 0.66 | ALDH1A1 (0.43) | ALDH1A1AR | |
| SCHEMBL23912714 | 0.66 | PIK3C3 (0.36) | PIK3C3ALDH1A1 |
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-3094325-B1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-10-13 | — | — | EP | disclosed |
| WO-2015108861-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-23 | — | — | WO | disclosed |