Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 12/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.48 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585638 | 0.91 | PDK1 (0.51) | PDK1PDK2PDK4PDK3LMNA | |
| SCHEMBL16586252 | 0.89 | MAPT (0.54) | MAPTALDH1A1MAPK1PDK1PDK2 | |
| SCHEMBL16591854 | 0.86 | MAPT (0.52) | MAPTALDH1A1MAPK1PDK1PDK2 | |
| SCHEMBL16585844 | 0.85 | MAPT (0.51) | MAPTALDH1A1MAPK1PDK1PDK2 | |
| SCHEMBL16585886 | 0.85 | MAPK1 (0.51) | MAPTALDH1A1MAPK1PDK1PDK2 | |
| SCHEMBL16585624 | 0.81 | ALDH1A1 (0.55) | MAPTALDH1A1MAPK1PDK1PDK2 | |
| SCHEMBL16585916 | 0.79 | PDK1 (0.53) | PDK1PDK2PDK4PDK3 | |
| SCHEMBL16586288 | 0.78 | MAPT (0.44) | MAPTALDH1A1MAPK1PDK1PDK2 | |
| SCHEMBL16591855 | 0.78 | PDK1 (0.69) | PDK1PDK2PDK4PDK3 | |
| SCHEMBL16585718 | 0.77 | PDK1 (0.51) | PDK1PDK2PDK4PDK3 |
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 |