Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.46 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14646619 | 0.93 | PDK1 (0.59) | PDK1PDK2PDK3PDK4MGLL | |
| SCHEMBL1633894 | 0.89 | PDK1 (0.52) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL1705195 | 0.89 | PDK1 (0.53) | PDK1PDK2PDK3PDK4MGLL | |
| SCHEMBL1704568 | 0.89 | PDK1 (0.53) | PDK1PDK2PDK3PDK4MGLL | |
| SCHEMBL4175784 | 0.86 | PDK1 (0.51) | PDK1PDK2PDK3PDK4MGLL | |
| SCHEMBL1703905 | 0.86 | PDK1 (0.51) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL7809947 | 0.85 | MGLL (0.51) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL13895357 | 0.83 | PDK1 (0.59) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL13895353 | 0.83 | PDK1 (0.59) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL4175788 | 0.83 | PDK1 (0.48) | PDK1PDK2PDK3PDK4MGLL |
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-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |