Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 11/20 | 0.42 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL480055 | 0.83 | PDK2 (0.35) | BDKRB1PTGER4KMO | |
| SCHEMBL733519 | 0.83 | SLC6A3 (0.39) | BDKRB1PTGER4KMO | |
| SCHEMBL733518 | 0.82 | KDM4E (0.39) | MAPK14KMO | |
| SCHEMBL480017 | 0.81 | KDM4E (0.39) | KMO | |
| SCHEMBL479917 | 0.78 | KMO (0.43) | KMO | |
| SCHEMBL754770 | 0.78 | KMO (0.43) | KMO | |
| SCHEMBL837203 | 0.76 | CHEK1 (0.39) | KMO | |
| SCHEMBL480901 | 0.74 | BDKRB1 (0.45) | BDKRB1 | |
| SCHEMBL15789725 | 0.74 | KMO (0.38) | KMO | |
| SCHEMBL838573 | 0.73 | MDM4 (0.39) | — |
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 |