Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 9/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.62 |
| ▸ | AKT2 | P31751 | 5/20 | 0.62 |
| ▸ | PRKACA | P17612 | 2/20 | 0.62 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.62 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.62 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.62 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.62 |
| ▸ | LATS1 | O95835 | 1/20 | 0.62 |
| ▸ | PRKACB | P22694 | 1/20 | 0.62 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.62 |
| ▸ | GRK2 | P25098 | 1/20 | 0.62 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.62 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.62 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.62 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.62 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.62 |
| ▸ | SGK3 | Q96BR1 | 1/20 | 0.62 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979179 | 0.84 | AKT1 (0.70) | AKT1ROCK2AKT2PRKACAAKT3 | |
| SCHEMBL13327376 | 0.80 | AKT1 (0.64) | AKT1ROCK2AKT2PRKACAAKT3 | |
| SCHEMBL3024761 | 0.78 | AKT1 (0.80) | AKT1ROCK2AKT2PRKACAAKT3 | |
| SCHEMBL3025820 | 0.78 | AKT1 (0.80) | AKT1ROCK2AKT2PRKACAAKT3 | |
| SCHEMBL3028412 | 0.78 | AKT1 (0.80) | AKT1ROCK2AKT2PRKACAAKT3 | |
| At-13148 SCHEMBL850592 | 0.77 | AKT1 (1.00) | AKT1ROCK2AKT2PRKACAAKT3 | |
| SCHEMBL880116 | 0.77 | NPSR1 (0.49) | AKT1AKT2PRKACAAKT3NPSR1 | |
| At-13148 SCHEMBL851075 | 0.77 | AKT1 (1.00) | AKT1ROCK2AKT2PRKACAAKT3 | |
| At-13148 SCHEMBL851471 | 0.77 | AKT1 (1.00) | AKT1ROCK2AKT2PRKACAAKT3 | |
| SCHEMBL3020349 | 0.77 | AKT1 (0.67) | AKT1ROCK2AKT2PRKACAAKT3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2433632-A1 | Compositions and combinations comprising non-racemic 2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol, for use in medicine | Astex Therapeutics Limited (GB) | 2012-03-28 | — | — | EP | disclosed |
| WO-2008110846-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2008-09-18 | — | — | WO | disclosed |