Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 10/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 10/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 10/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 10/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8158640 | 0.96 | PDK1 (0.42) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL4609470 | 0.89 | PDK1 (0.43) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL4609097 | 0.85 | PDK1 (0.47) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL4608061 | 0.83 | PDK1 (0.65) | PDK1PDK2PDK3PDK4NR1H2 | |
| SCHEMBL6356074 | 0.83 | PDK1 (0.65) | PDK1PDK2PDK3PDK4NR1H2 | |
| SCHEMBL4608056 | 0.83 | PDK1 (0.65) | PDK1PDK2PDK3PDK4NR1H2 | |
| SCHEMBL4610001 | 0.82 | PDK1 (0.46) | PDK1PDK2PDK3PDK4NR1H2 | |
| SCHEMBL4609149 | 0.77 | ABCB11 (0.55) | PDK1PDK2PDK3PDK4NR1H2 | |
| SCHEMBL6358347 | 0.77 | PDK1 (0.49) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568932 | 0.75 | PDK1 (0.58) | PDK1PDK2PDK3PDK4NR1H2 |
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 |