Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 8/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 3/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL480185 | 0.94 | PDK2 (0.40) | BDKRB1PDK2PDE2AMETPDE3B | |
| SCHEMBL480086 | 0.90 | CHEK1 (0.37) | PDK2PDE2A | |
| SCHEMBL480182 | 0.90 | SCN9A (0.33) | PDK2NPC1SCN9ASCN5APDE2A | |
| SCHEMBL480109 | 0.85 | PDK2 (0.36) | PDK2PDE2A | |
| SCHEMBL480092 | 0.85 | PDE2A (0.34) | PDK2PDE2APDE3BPDE3AKDR | |
| SCHEMBL479986 | 0.84 | PRKAB2 (0.37) | PDE2A | |
| SCHEMBL480155 | 0.84 | SCN8A (0.36) | SCN9APDE2A | |
| SCHEMBL479738 | 0.81 | BDKRB1 (0.35) | BDKRB1PDK2NPC1SCN9ASCN5A | |
| SCHEMBL474577 | 0.79 | PDK2 (0.36) | BDKRB1PDK2SCN9ASCN5AMET | |
| SCHEMBL12163881 | 0.79 | PDK2 (0.36) | BDKRB1PDK2SCN9ASCN5AMET |
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 | claimed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | claimed |