Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 18/20 | 0.67 |
| ▸ | PDK2 | Q15119 | 18/20 | 0.67 |
| ▸ | PDK3 | Q15120 | 18/20 | 0.67 |
| ▸ | PDK4 | Q16654 | 18/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.66 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568782 | 1.00 | PDK1 (0.67) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6352392 | 0.90 | ABCB11 (0.77) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6352390 | 0.90 | ABCB11 (0.77) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL5737280 | 0.89 | PDK1 (0.58) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6570072 | 0.89 | PDK1 (0.78) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571249 | 0.89 | PDK1 (0.72) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568188 | 0.89 | ABCB11 (0.80) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568192 | 0.89 | ABCB11 (0.80) | PDK1PDK2PDK3PDK4ABCB11 | |
| Dimethylamine SCHEMBL6571256 | 0.87 | PDK1 (0.69) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569990 | 0.85 | PDK1 (0.76) | PDK1PDK2PDK3PDK4ABCB11 |
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 |