Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | PDK1 | Q15118 | 19/20 | 0.72 |
| ▸ | PDK2 | Q15119 | 19/20 | 0.72 |
| ▸ | PDK3 | Q15120 | 19/20 | 0.72 |
| ▸ | PDK4 | Q16654 | 19/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571481 | 1.00 | ABCB11 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568945 | 0.93 | PDK1 (0.77) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568953 | 0.93 | PDK1 (0.77) | ABCB11PDK1PDK2PDK3PDK4 | |
| Dimethylamine SCHEMBL6351668 | 0.91 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571192 | 0.90 | ABCB11 (0.76) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571181 | 0.90 | ABCB11 (0.76) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6569823 | 0.88 | PDK1 (0.86) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4609236 | 0.88 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571201 | 0.88 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4608280 | 0.88 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 |
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 |