Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 19/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 19/20 | 0.57 |
| ▸ | PDK3 | Q15120 | 19/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 19/20 | 0.57 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.56 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.56 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.56 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6569841 | 1.00 | PDK1 (0.57) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568901 | 0.86 | ABCC9 (0.53) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568908 | 0.86 | ABCC9 (0.53) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6351332 | 0.86 | PDK1 (0.70) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6351328 | 0.86 | PDK1 (0.70) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571138 | 0.85 | PDK1 (0.61) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6571148 | 0.85 | PDK1 (0.61) | PDK1PDK2PDK3PDK4ABCC9 | |
| Dimethylamine SCHEMBL6570063 | 0.84 | PDK1 (0.67) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568153 | 0.82 | PDK1 (0.57) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568156 | 0.82 | PDK1 (0.57) | PDK1PDK2PDK3PDK4ABCC9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1082110-B1 | USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2004-03-24 | — | — | EP | disclosed |