Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 18/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 18/20 | 0.55 |
| ▸ | PDK3 | Q15120 | 18/20 | 0.55 |
| ▸ | PDK4 | Q16654 | 18/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6567979 | 1.00 | PDK1 (0.55) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568235 | 0.82 | PDK1 (0.61) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568240 | 0.82 | PDK1 (0.61) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568845 | 0.78 | PDK1 (0.58) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568839 | 0.78 | PDK1 (0.58) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568163 | 0.78 | PDK1 (0.71) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568929 | 0.75 | PDK1 (0.71) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568923 | 0.75 | PDK1 (0.71) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6347760 | 0.74 | PDK1 (0.59) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6347765 | 0.74 | PDK1 (0.59) | 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 |