Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 17/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 2/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585862 | 0.91 | PTGES (0.59) | PDK1PTGESALOX5LTC4S | |
| SCHEMBL16585771 | 0.90 | PDK1 (0.63) | PDK1PDK2PDK3PDK4PTGES | |
| SCHEMBL16586235 | 0.87 | PTGES (0.47) | PDK1PDK2PDK3PDK4PTGES | |
| SCHEMBL16585865 | 0.87 | PDK1 (0.71) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585718 | 0.83 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585824 | 0.82 | PDK1 (0.43) | PDK1PDK2PDK3PDK4PTGES | |
| SCHEMBL16586310 | 0.80 | PDK1 (0.54) | PDK1PDK2PDK3PDK4PTGES | |
| SCHEMBL16586302 | 0.77 | PDK1 (0.70) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL30277669 | 0.77 | PTGES (0.55) | PDK1PTGESALOX5LTC4S | |
| SCHEMBL16586228 | 0.77 | PDK1 (0.78) | PDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040425-A1 | RESORCINOL N-ARYL AMIDE COMPOUNDS, FOR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| WO-2015040425-A1 | RESORCINOL N-ARYL AMIDE COMPOUNDS, FOR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |