Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 17/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 17/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 17/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 17/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20429116 | 0.88 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871776 | 0.87 | NPC1 (0.44) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871781 | 0.86 | PDK1 (0.47) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871982 | 0.84 | PDK1 (0.55) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871832 | 0.84 | PDK1 (0.49) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871979 | 0.84 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL20429089 | 0.83 | CYP11B2 (0.52) | ALDH1A1FYNCYP11B2 | |
| SCHEMBL18871830 | 0.82 | MAPK14 (0.47) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871762 | 0.81 | PDK1 (0.49) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871841 | 0.79 | NPC1 (0.43) | PDK1PDK2PDK3PDK4NPC1 |
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-3168213-A1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | Glaxosmithkline LLC (US) | 2017-05-17 | — | — | EP | disclosed |