Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 10/20 | 0.58 |
| ▸ | PDK2 | Q15119 | 10/20 | 0.58 |
| ▸ | PDK3 | Q15120 | 10/20 | 0.58 |
| ▸ | PDK4 | Q16654 | 10/20 | 0.58 |
| ▸ | HTT | P42858 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ABCC9 | O60706 | 3/20 | 0.51 |
| ▸ | ABCC8 | Q09428 | 3/20 | 0.51 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.51 |
| ▸ | KCNJ8 | Q15842 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568972 | 1.00 | PDK1 (0.58) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL4609247 | 0.88 | PDK1 (0.66) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL4609245 | 0.88 | PDK1 (0.66) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL6568156 | 0.87 | PDK1 (0.57) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568153 | 0.87 | PDK1 (0.57) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568838 | 0.86 | PDK1 (0.56) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568832 | 0.86 | PDK1 (0.56) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL4608794 | 0.86 | ABCC9 (0.65) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL4608790 | 0.86 | ABCC9 (0.65) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6568963 | 0.83 | PDK1 (0.52) | PDK1PDK2PDK3PDK4ABCC9 |
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 2 patents. 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 |
| CN-1303281-A | Application of compound in enhancing activity of pyruvate dehydrogenase | ASTRA ZENECA LTD (SE) | 2001-07-11 | — | — | CN | disclosed |