Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.55 |
| ▸ | KLK1 | P06870 | 1/20 | 0.54 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11993056 | 0.89 | PDE4B (0.70) | PDE4APDE4BPDE4CPDE4DCA1 | |
| SCHEMBL13111023 | 0.85 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DROCK2 | |
| SCHEMBL5583471 | 0.82 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DKLK1 | |
| SCHEMBL595898 | 0.82 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DKLK1 | |
| SCHEMBL13460289 | 0.82 | PDE4B (0.82) | PDE4APDE4BPDE4CPDE4DROCK2 | |
| SCHEMBL12446533 | 0.82 | ROCK2 (0.63) | PDE4APDE4BPDE4CPDE4DROCK2 | |
| SCHEMBL1135219 | 0.79 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DKLK1 | |
| SCHEMBL3475067 | 0.78 | KLK1 (0.69) | PDE4APDE4BPDE4CPDE4DKLK1 | |
| SCHEMBL1135299 | 0.76 | CA12 (0.65) | PDE4APDE4BPDE4CPDE4DROCK2 | |
| SCHEMBL5583340 | 0.75 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DKLK1 |
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-2009140309-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | WO | disclosed |