Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 13/20 | 0.70 |
| ▸ | PDK2 | Q15119 | 13/20 | 0.70 |
| ▸ | PDK3 | Q15120 | 13/20 | 0.70 |
| ▸ | PDK4 | Q16654 | 13/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | ABCC9 | O60706 | 4/20 | 0.61 |
| ▸ | ABCC8 | Q09428 | 4/20 | 0.61 |
| ▸ | KCNJ11 | Q14654 | 4/20 | 0.61 |
| ▸ | KCNJ8 | Q15842 | 4/20 | 0.61 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6569820 | 1.00 | PDK1 (0.70) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6348653 | 0.92 | PDK1 (0.70) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571214 | 0.92 | ABCB11 (0.69) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571223 | 0.92 | ABCB11 (0.69) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6348657 | 0.92 | PDK1 (0.70) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569981 | 0.88 | PDK1 (0.76) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569990 | 0.88 | PDK1 (0.76) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571168 | 0.86 | ABCB11 (0.76) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6350096 | 0.86 | ABCB11 (0.76) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6350091 | 0.86 | ABCB11 (0.76) | 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 |