Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 19/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 19/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 19/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 19/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20288803 | 0.80 | PDK1 (0.46) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL20288943 | 0.78 | BRD2 (0.57) | — | |
| SCHEMBL26583761 | 0.78 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL30366353 | 0.78 | PDK1 (0.48) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL26072484 | 0.78 | PDK1 (0.48) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL26071914 | 0.78 | CYP11B1 (0.47) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871982 | 0.77 | PDK1 (0.55) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL14756207 | 0.77 | PDK1 (0.54) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL26071793 | 0.77 | PDK1 (0.54) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL30366656 | 0.76 | BRD4 (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018111805-A1 | TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2018-06-21 | — | — | WO | disclosed |