Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 13/20 | 0.57 |
| ▸ | PDE4A | P27815 | 8/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16705120 | 0.90 | PDE4B (0.48) | PDE4BPDE4APDE4CPDE4DCA1 | |
| SCHEMBL10172481 | 0.85 | AR (0.41) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL16586497 | 0.79 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL10172483 | 0.79 | AR (0.41) | PDE4BPDE4APDE4CPDE4DAR | |
| SCHEMBL16705118 | 0.79 | PDE4B (0.62) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL10217430 | 0.76 | PDE4B (0.48) | PDE4BPDE4APDE4CPDE4DCA1 | |
| SCHEMBL595613 | 0.72 | PDE4B (1.00) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL5583343 | 0.72 | PDE4B (1.00) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL12431297 | 0.71 | PDE4B (0.76) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL24478326 | 0.70 | CA1 (0.57) | PDE4BPDE4APDE4CPDE4DPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| US-9029353-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2015-05-12 | — | — | US | disclosed |