Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | ALKBH3 | Q96Q83 | 2/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.34 |
| ▸ | FEN1 | P39748 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13265423 | 0.87 | ALOX5AP (0.39) | PDK2PDE3BPDE3AALKBH3ALOX5AP | |
| SCHEMBL4567627 | 0.87 | ALOX5AP (0.39) | PDK2PDE3BPDE3AALKBH3ALOX5AP | |
| SCHEMBL17050148 | 0.83 | RARB (0.37) | PDK2ALOX5APFEN1AKR1C3AKR1C2 | |
| SCHEMBL17050142 | 0.82 | RARB (0.36) | PDK2ALOX5APFEN1AKR1C3AKR1C2 | |
| SCHEMBL13480374 | 0.81 | PDE3B (0.36) | PDK2PDE3BPDE3ASCN9AALKBH3 | |
| SCHEMBL20118151 | 0.77 | ALOX5AP (0.37) | PDK2PDE3BPDE3AALKBH3ALOX5AP | |
| SCHEMBL170435 | 0.76 | PDE3B (0.49) | PDK2PDE3BPDE3AALOX5APFEN1 | |
| SCHEMBL17050129 | 0.76 | PDK2 (0.33) | PDK2AKR1C3AKR1C2 | |
| SCHEMBL18559871 | 0.76 | PTGS2 (0.38) | SCN9AALOX5APFEN1PTGS2CYP11B1 | |
| SCHEMBL14234532 | 0.75 | AR (0.41) | PDK2PDE3BPDE3APTGS2RPS6KA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015129540-A1 | LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 | 2015-09-03 | — | — | WO | disclosed |