Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 14/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL479947 | 0.91 | CHEK1 (0.35) | RETACLYPDK2MRGPRX4 | |
| SCHEMBL479738 | 0.91 | BDKRB1 (0.35) | RETBDKRB1ACLYPDK2NPC1 | |
| SCHEMBL480032 | 0.91 | RARB (0.35) | RET | |
| SCHEMBL479902 | 0.87 | MRGPRX4 (0.35) | RETBDKRB1NPC1MRGPRX4 | |
| SCHEMBL480005 | 0.85 | ERCC1 (0.35) | RETMRGPRX4 | |
| SCHEMBL479963 | 0.85 | PRKAB2 (0.35) | RET | |
| SCHEMBL480079 | 0.84 | PDK2 (0.40) | BDKRB1ACLYPDK2 | |
| SCHEMBL480057 | 0.81 | CHEK1 (0.37) | RETACLYPDK2 | |
| SCHEMBL480013 | 0.81 | RXRB (0.35) | RETPDK2 | |
| SCHEMBL733615 | 0.81 | KDM4E (0.37) | BDKRB1PDK2NPC1MRGPRX4 |
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 4 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 |
| 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 |