Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 8/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 8/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 8/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL18871776 | 0.89 | NPC1 (0.44) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18871841 | 0.88 | NPC1 (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18871830 | 0.87 | MAPK14 (0.47) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18872014 | 0.86 | PDK1 (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL26072650 | 0.86 | WDR5 (0.42) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL27266042 | 0.85 | DRD2 (0.42) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18871986 | 0.85 | PDK1 (0.42) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL18872001 | 0.83 | NAMPT (0.41) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18871818 | 0.83 | CD274 (0.42) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18871784 | 0.82 | TP53 (0.49) | MAPTTHRBTP53ALDH1A1NPC1 |
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 |