Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.31 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 1/20 | 0.30 |
| ▸ | VHL | P40337 | 1/20 | 0.30 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4755648 | 0.82 | PIK3CA (0.35) | PIK3CADGAT1KDM5BPDE4ASYK | |
| SCHEMBL4756614 | 0.75 | KDM4E (0.33) | PI4KB | |
| SCHEMBL13746012 | 0.75 | PIK3CA (0.36) | PIK3CADGAT1KDM5BPDE4ASYK | |
| SCHEMBL4753738 | 0.75 | JAK2 (0.35) | PIK3CADGAT1KDM5BPDE4ASYK | |
| SCHEMBL4756695 | 0.74 | HSD11B1 (0.39) | PDE9A | |
| SCHEMBL13747135 | 0.71 | HSD11B1 (0.35) | PDE9A | |
| SCHEMBL13985513 | 0.70 | LCAT (0.35) | PIK3CAPDE4B | |
| SCHEMBL4755218 | 0.70 | LCAT (0.35) | PIK3CAPDE4B | |
| SCHEMBL4753233 | 0.68 | PDE9A (0.37) | PDE9A | |
| SCHEMBL13746092 | 0.66 | PSD (0.38) | — |
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-2008156607-A1 | SUBSTITUTED PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2008-12-24 | — | — | WO | claimed |