Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 19/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 19/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 19/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 19/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12441159 | 0.92 | PDK1 (0.45) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL12440322 | 0.79 | PDK1 (0.40) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL4519018 | 0.77 | MCHR1 (0.49) | — | |
| SCHEMBL12440634 | 0.75 | CYP11B1 (0.38) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871982 | 0.68 | PDK1 (0.55) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871979 | 0.66 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL20429116 | 0.66 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871762 | 0.66 | PDK1 (0.49) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871839 | 0.65 | HRH3 (0.55) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871843 | 0.65 | PDK1 (0.47) | PDK1PDK2PDK3PDK4 |
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-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |