Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA1 | Q15418 | 6/20 | 0.48 |
| ▸ | AKT1 | P31749 | 5/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | PRKCA | P17252 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.45 |
| ▸ | PDE4A | P27815 | 5/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | PDE1A | P54750 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRK2 | P25098 | 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 | |
|---|---|---|---|---|
| SCHEMBL16416642 | 0.86 | RPS6KA1 (0.50) | RPS6KA1AKT1ROCK2ROCK1PRKCA | |
| SCHEMBL16416820 | 0.85 | RPS6KA1 (0.68) | RPS6KA1AKT1ROCK2ROCK1PRKCA | |
| SCHEMBL2230863 | 0.80 | ROCK2 (0.65) | ROCK2ROCK1PDE4BPDE4APDE4C | |
| SCHEMBL16421774 | 0.79 | RPS6KA1 (0.74) | RPS6KA1AKT1ROCK2ROCK1PRKCA | |
| SCHEMBL2528772 | 0.78 | PDE4B (0.72) | ROCK2ROCK1PDE4BPDE4APDE4C | |
| SCHEMBL16416681 | 0.74 | RPS6KA1 (0.66) | RPS6KA1AKT1ROCK2ROCK1PRKCA | |
| SCHEMBL1232022 | 0.69 | PDE4B (0.58) | PDE4BPDE4APDE4CPDE4DCHRM1 | |
| SCHEMBL597125 | 0.68 | PDE4B (0.65) | RPS6KA1PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL16096144 | 0.68 | RPS6KA1 (0.40) | RPS6KA1AKT1ROCK2ROCK1PRKCA | |
| SCHEMBL18722775 | 0.67 | RPS6KA1 (0.43) | RPS6KA1AKT1ROCK2ROCK1PRKCA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9493490-B1 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| WO-2015013318-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | WO | disclosed |