Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 2/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL480079 | 0.93 | PDK2 (0.40) | PDK2ROCK2ROCK1ACLYLMNA | |
| SCHEMBL480183 | 0.92 | PRKAB2 (0.37) | CHEK1ROCK2ROCK1ALDH1A1PRKAB2 | |
| SCHEMBL479947 | 0.91 | CHEK1 (0.35) | CHEK1PDK2ROCK2ROCK1ACLY | |
| SCHEMBL479738 | 0.90 | BDKRB1 (0.35) | PDK2ACLYRET | |
| SCHEMBL479731 | 0.85 | RXRB (0.37) | PDK2SMN1; SMN2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL479964 | 0.84 | KDR (0.32) | PDK2ACLYLMNATHRBMAPT | |
| SCHEMBL479963 | 0.83 | PRKAB2 (0.35) | CHEK1ROCK2ROCK1RETPRKAB2 | |
| SCHEMBL480013 | 0.82 | RXRB (0.35) | PDK2RETPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL480103 | 0.82 | GRIK1 (0.40) | PDK2MAPTALDH1A1GAAPRKAB2 | |
| SCHEMBL480130 | 0.81 | RET (0.37) | PDK2ACLYRET |
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-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |