Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 17/20 | 0.74 |
| ▸ | PDK2 | Q15119 | 17/20 | 0.74 |
| ▸ | PDK3 | Q15120 | 17/20 | 0.74 |
| ▸ | PDK4 | Q16654 | 17/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.70 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.70 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL4608406 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609236 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568184 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571201 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609853 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609233 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571208 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569819 | 0.91 | PDK1 (0.86) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569823 | 0.91 | PDK1 (0.86) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609857 | 0.91 | PDK1 (0.74) | 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-1059927-B1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2008-07-30 | — | — | EP | disclosed |