Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.57 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.57 |
| ▸ | PDK1 | Q15118 | 15/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 15/20 | 0.56 |
| ▸ | PDK3 | Q15120 | 15/20 | 0.56 |
| ▸ | PDK4 | Q16654 | 15/20 | 0.56 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.54 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.54 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.54 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL6571322 | 1.00 | PTGES2 (0.58) | PTGES2NR1H2NR1H3PDK1PDK2 | |
| SCHEMBL27553234 | 0.89 | PTGES2 (0.65) | PTGES2NR1H2NR1H3PDK1PDK2 | |
| SCHEMBL6570941 | 0.89 | PTGES2 (0.65) | PTGES2NR1H2NR1H3PDK1PDK2 | |
| SCHEMBL6570032 | 0.87 | PDK1 (0.60) | PTGES2PDK1PDK2PDK3PDK4 | |
| SCHEMBL6570039 | 0.87 | PDK1 (0.60) | PTGES2PDK1PDK2PDK3PDK4 | |
| SCHEMBL4608061 | 0.87 | PDK1 (0.65) | NR1H2NR1H3PDK1PDK2PDK3 | |
| SCHEMBL6356074 | 0.87 | PDK1 (0.65) | NR1H2NR1H3PDK1PDK2PDK3 | |
| SCHEMBL4608056 | 0.87 | PDK1 (0.65) | NR1H2NR1H3PDK1PDK2PDK3 | |
| SCHEMBL6568189 | 0.86 | ABCB11 (0.69) | PTGES2NR1H2NR1H3PDK1PDK2 | |
| SCHEMBL6568185 | 0.86 | ABCB11 (0.69) | PTGES2NR1H2NR1H3PDK1PDK2 |
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 |