Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 2/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 2/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPA | Q15257 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | BAZ2A | Q9UIF9 | 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 | |
|---|---|---|---|---|
| SCHEMBL479902 | 0.93 | MRGPRX4 (0.35) | BDKRB1ERCC1ERCC4MRGPRX4NPC1 | |
| SCHEMBL479948 | 0.89 | ERCC1 (0.36) | ERCC1ERCC4MRGPRX4 | |
| SCHEMBL479738 | 0.85 | BDKRB1 (0.35) | BDKRB1ERCC1ERCC4NPC1RET | |
| SCHEMBL479871 | 0.85 | MRGPRX4 (0.33) | MRGPRX4KDM4ENPSR1HPGDMEN1 | |
| SCHEMBL480013 | 0.84 | RXRB (0.35) | ERCC1ERCC4RET | |
| SCHEMBL480079 | 0.84 | PDK2 (0.40) | BDKRB1ERCC1ERCC4ALDH1A1HPGD | |
| SCHEMBL480103 | 0.84 | GRIK1 (0.40) | ERCC1ERCC4ALDH1A1GAAMAPT | |
| SCHEMBL480005 | 0.83 | ERCC1 (0.35) | ERCC1ERCC4MRGPRX4RETPTPRC | |
| SCHEMBL479731 | 0.83 | RXRB (0.37) | ERCC1ERCC4SMN1; SMN2 | |
| SCHEMBL754461 | 0.82 | BAZ2B (0.44) | BDKRB1MRGPRX4NPC1PTPRCPTPN2 |
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 |