Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 5/20 | 0.53 |
| ▸ | PDE4A | P27815 | 3/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | PDE1A | P54750 | 1/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16586497 | 0.89 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4DCHRM1 | |
| SCHEMBL16705119 | 0.88 | PDE4B (0.53) | PDE4BPDE4APDE4CPDE4DCHRM1 | |
| SCHEMBL1232022 | 0.84 | PDE4B (0.58) | PDE4BPDE4APDE4CPDE4DCHRM1 | |
| SCHEMBL18214931 | 0.83 | CA1 (0.50) | CA1CA2CA9CA12CA4 | |
| SCHEMBL5528362 | 0.82 | CA1 (0.54) | CA1CA2CA9CA12CA4 | |
| SCHEMBL596081 | 0.82 | CA1 (0.54) | CA1CA2CA9CA12CA4 | |
| SCHEMBL596577 | 0.81 | CA1 (0.56) | PDE4BPDE4APDE4CPDE4DCA1 | |
| SCHEMBL596283 | 0.81 | CA1 (0.56) | PDE4BPDE4APDE4CPDE4DPDE3A | |
| SCHEMBL596966 | 0.81 | CA1 (0.51) | CA1CA2CA9CA12CA4 | |
| SCHEMBL2279747 | 0.81 | CA1 (0.69) | CA1CA2CA9CA12CA4 |
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 |