Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 5/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 5/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 5/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 5/20 | 0.37 |
| ▸ | PRKAG3 | Q9UGI9 | 5/20 | 0.37 |
| ▸ | PRKAG2 | Q9UGJ0 | 5/20 | 0.37 |
| ▸ | PRKAB1 | Q9Y478 | 5/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL480057 | 0.92 | CHEK1 (0.37) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL479731 | 0.91 | RXRB (0.37) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL479963 | 0.91 | PRKAB2 (0.35) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480013 | 0.88 | RXRB (0.35) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480103 | 0.88 | GRIK1 (0.40) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480079 | 0.86 | PDK2 (0.40) | ROCK2ROCK1ALDH1A1 | |
| SCHEMBL479948 | 0.86 | ERCC1 (0.36) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL479738 | 0.84 | BDKRB1 (0.35) | — | |
| SCHEMBL479947 | 0.83 | CHEK1 (0.35) | CHEK1ROCK2ROCK1 | |
| SCHEMBL479931 | 0.83 | S1PR2 (0.33) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 |
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 |