Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 6/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 5/20 | 0.33 |
| ▸ | MET | P08581 | 4/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL480079 | 0.94 | PDK2 (0.40) | BDKRB1PDK2ACLYERCC1ERCC4 | |
| SCHEMBL480130 | 0.91 | RET (0.37) | BDKRB1PDK2ACLYRETNPC1 | |
| SCHEMBL480057 | 0.90 | CHEK1 (0.37) | PDK2ACLYRET | |
| SCHEMBL480013 | 0.90 | RXRB (0.35) | PDK2RETERCC1ERCC4 | |
| SCHEMBL479731 | 0.85 | RXRB (0.37) | PDK2ERCC1ERCC4 | |
| SCHEMBL480204 | 0.85 | BDKRB1 (0.34) | BDKRB1RETERCC1ERCC4NPC1 | |
| SCHEMBL479964 | 0.85 | KDR (0.32) | PDK2ACLY | |
| SCHEMBL479948 | 0.85 | ERCC1 (0.36) | ERCC1ERCC4 | |
| SCHEMBL479721 | 0.84 | P2RX3 (0.34) | METSCN5ASCN9A | |
| SCHEMBL480183 | 0.84 | PRKAB2 (0.37) | — |
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 |