Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 19/20 | 0.68 |
| ▸ | PDK2 | Q15119 | 19/20 | 0.68 |
| ▸ | PDK3 | Q15120 | 19/20 | 0.68 |
| ▸ | PDK4 | Q16654 | 19/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571257 | 1.00 | PDK1 (0.68) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL3787237 | 0.85 | MAPT (0.68) | NPC1TP53ALOX15RAB9ASMN1; SMN2 | |
| SCHEMBL5736882 | 0.83 | PDK1 (0.62) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571391 | 0.82 | PDK1 (0.61) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL5749870 | 0.80 | PDK1 (0.64) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL4624630 | 0.80 | PDK1 (0.61) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL4624625 | 0.80 | PDK1 (0.61) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568163 | 0.80 | PDK1 (0.71) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568929 | 0.80 | PDK1 (0.71) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568923 | 0.80 | PDK1 (0.71) | PDK1PDK2PDK3PDK4 |
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 |