Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 16/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 15/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 15/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 15/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL18871832 | 0.94 | PDK1 (0.49) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871830 | 0.86 | MAPK14 (0.47) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871989 | 0.85 | PDK1 (0.50) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871991 | 0.84 | PDK1 (0.47) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871840 | 0.83 | PDK1 (0.52) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871765 | 0.82 | PDK1 (0.50) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871776 | 0.80 | NPC1 (0.44) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871843 | 0.79 | PDK1 (0.47) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL26072650 | 0.78 | WDR5 (0.42) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871836 | 0.77 | PDK1 (0.49) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3168213-B1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2018-08-01 | — | — | EP | disclosed |
| EP-3168213-A1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | Glaxosmithkline LLC (US) | 2017-05-17 | — | — | EP | disclosed |