Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.36 |
| ▸ | MC3R | P41968 | 2/20 | 0.36 |
| ▸ | MC5R | P33032 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10098876 | 0.88 | TAAR1 (0.47) | CYP3A4GBA1PNMTTAAR1MAPT | |
| SCHEMBL12637674 | 0.87 | ROCK1 (0.47) | ROCK1KDM4EMITFALDH1A1HTT | |
| SCHEMBL12575213 | 0.83 | ROCK1 (0.45) | ROCK1KDM4EMITFALDH1A1HTT | |
| SCHEMBL10098879 | 0.82 | ROCK1 (0.38) | ROCK1KDM4EMITFALDH1A1HTT | |
| SCHEMBL12449779 | 0.77 | MC3R (0.39) | ROCK1KDM4EALDH1A1MC4RMC3R | |
| SCHEMBL15003280 | 0.75 | PNMT (0.46) | ALDH1A1CYP3A4GBA1PNMTTAAR1 | |
| SCHEMBL12449255 | 0.74 | MAPT (0.40) | ROCK1KDM4EALDH1A1MC4RMC3R | |
| SCHEMBL12449224 | 0.73 | ROCK1 (0.38) | ROCK1MC4RMC3RMC5RCYP3A4 | |
| SCHEMBL10098875 | 0.73 | TAAR1 (0.47) | ROCK1TAAR1 | |
| SCHEMBL3397980 | 0.73 | CA2 (0.47) | KDM4EALDH1A1GRM2GRM3PPARG |
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-2404907-A1 | Pyrimidyl cyclopentanes as AKT protein kinase inhibitors | Array Biopharma, Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| EP-2173723-B1 | PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2011-08-31 | — | — | EP | disclosed |