Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 15/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22307810 | 0.86 | CTSS (0.46) | PDE3BPDE3A | |
| SCHEMBL22309158 | 0.85 | PDE3B (0.56) | AAK1CYP3A4PDE3BPDE3A | |
| SCHEMBL22308817 | 0.84 | PDE3B (0.47) | AAK1CYP3A4PDE3BPDE3A | |
| SCHEMBL22307806 | 0.84 | PDE3B (0.47) | AAK1CYP3A4PDE3BPDE3A | |
| SCHEMBL22308819 | 0.84 | PDE3B (0.47) | AAK1CYP3A4PDE3BPDE3A | |
| SCHEMBL22309142 | 0.84 | XDH (0.49) | AAK1CYP3A4PDE3BPDE3AGSK3A | |
| SCHEMBL22307812 | 0.84 | PDE3B (0.50) | AAK1PDE3BPDE3A | |
| SCHEMBL22307799 | 0.83 | PDE3B (0.55) | AAK1CYP3A4PDE3BPDE3A | |
| SCHEMBL22309141 | 0.82 | HPGD (0.46) | AAK1PDE3BPDE3A | |
| SCHEMBL22309147 | 0.81 | S1PR1 (0.46) | PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020157189-A1 | 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-06 | — | — | WO | disclosed |