Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 5/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.30 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.30 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL479738 | 0.94 | BDKRB1 (0.35) | PDK2ACLYBDKRB1ERCC1ERCC4 | |
| SCHEMBL480057 | 0.93 | CHEK1 (0.37) | PDK2ACLYROCK2ROCK1ALDH1A1 | |
| SCHEMBL479964 | 0.91 | KDR (0.32) | PDK2ACLYCFTRALDH1A1LMNA | |
| SCHEMBL479731 | 0.90 | RXRB (0.37) | PDK2SMN1; SMN2PDE2AERCC1ERCC4 | |
| SCHEMBL480183 | 0.86 | PRKAB2 (0.37) | ROCK2ROCK1ALDH1A1 | |
| SCHEMBL480013 | 0.85 | RXRB (0.35) | PDK2ERCC1ERCC4 | |
| SCHEMBL480103 | 0.85 | GRIK1 (0.40) | PDK2ALDH1A1MAPTERCC1ERCC4 | |
| SCHEMBL479739 | 0.85 | KDR (0.33) | PDK2MAPT | |
| SCHEMBL480130 | 0.84 | RET (0.37) | PDK2ACLYBDKRB1 | |
| SCHEMBL480204 | 0.84 | BDKRB1 (0.34) | BDKRB1ALDH1A1MAPTHPGDSMN1; SMN2 |
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 |