Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | ESRRA | P11474 | 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 | |
|---|---|---|---|---|
| SCHEMBL480092 | 0.94 | PDE2A (0.34) | KDRPDK2PDE3BPDE3APDE2A | |
| SCHEMBL480084 | 0.91 | S1PR2 (0.33) | — | |
| SCHEMBL480365 | 0.86 | CYP4F2 (0.37) | PDE3BPDE3A | |
| SCHEMBL480185 | 0.85 | PDK2 (0.40) | PDK2PDE3BPDE3APDE2A | |
| SCHEMBL480155 | 0.84 | SCN8A (0.36) | PDE2AESRRA | |
| SCHEMBL480107 | 0.84 | KMT2A (0.35) | PDE3BPDE3A | |
| SCHEMBL479739 | 0.81 | KDR (0.33) | KDRPDK2 | |
| SCHEMBL15789678 | 0.80 | MCL1 (0.35) | PDE2A | |
| SCHEMBL480166 | 0.79 | BDKRB1 (0.36) | KDRPDK2PDE3BPDE3APDE2A | |
| SCHEMBL480086 | 0.78 | CHEK1 (0.37) | PDK2PDE2A |
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 |