Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 17/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 17/20 | 0.57 |
| ▸ | PDK3 | Q15120 | 17/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 17/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6570004 | 1.00 | PDK1 (0.57) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6570966 | 0.89 | PDK1 (0.62) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6570960 | 0.89 | PDK1 (0.62) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571238 | 0.89 | PDK1 (0.54) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571231 | 0.89 | PDK1 (0.54) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6358481 | 0.89 | PDK1 (0.54) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568140 | 0.89 | PDK1 (0.54) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569125 | 0.87 | PDK1 (0.59) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569113 | 0.87 | PDK1 (0.59) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571352 | 0.85 | PDK1 (0.57) | 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 2 patents. 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 |
| CN-1303281-A | Application of compound in enhancing activity of pyruvate dehydrogenase | ASTRA ZENECA LTD (SE) | 2001-07-11 | — | — | CN | disclosed |