Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 7/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 7/20 | 0.56 |
| ▸ | PDK3 | Q15120 | 7/20 | 0.56 |
| ▸ | PDK4 | Q16654 | 7/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.52 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.52 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.52 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6570069 | 0.91 | PDK1 (0.60) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609857 | 0.86 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4608406 | 0.86 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609853 | 0.86 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609149 | 0.86 | ABCB11 (0.55) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6347588 | 0.85 | PDK1 (0.50) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609323 | 0.85 | PDK1 (0.55) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6572441 | 0.85 | MAPT (0.63) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609528 | 0.85 | ABCB11 (0.53) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568147 | 0.81 | LMNA (0.56) | 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 |