Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 6/20 | 0.70 |
| ▸ | PDK2 | Q15119 | 6/20 | 0.70 |
| ▸ | PDK3 | Q15120 | 6/20 | 0.70 |
| ▸ | PDK4 | Q16654 | 6/20 | 0.70 |
| ▸ | ABCC9 | O60706 | 3/20 | 0.58 |
| ▸ | ABCC8 | Q09428 | 3/20 | 0.58 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.58 |
| ▸ | KCNJ8 | Q15842 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571239 | 1.00 | PDK1 (0.70) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL10420241 | 0.88 | MAPT (0.57) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL2071235 | 0.86 | ALDH1A1 (0.61) | ALDH1A1MAPTHTTLMNAMEN1 | |
| SCHEMBL6569621 | 0.85 | PDK1 (0.81) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL4610006 | 0.85 | PDK1 (0.81) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6567827 | 0.83 | PDK1 (0.66) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6567832 | 0.83 | PDK1 (0.66) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL3271853 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPTHTTLMNAMEN1 | |
| SCHEMBL4490833 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPTHTTLMNAMEN1 | |
| SCHEMBL6359485 | 0.79 | PDK1 (0.76) | 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-1059927-B1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2008-07-30 | — | — | EP | disclosed |
| EP-1082110-B1 | USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2004-03-24 | — | — | EP | disclosed |