Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | BRD2 | P25440 | 2/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18872014 | 0.91 | PDK1 (0.43) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL20429040 | 0.90 | CNR2 (0.43) | HTTNPC1ALDH1A1RAB9AKMT2A | |
| SCHEMBL18871826 | 0.85 | PDK1 (0.44) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL18871760 | 0.82 | MAPK1 (0.53) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL18871778 | 0.79 | LMNA (0.42) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL30366341 | 0.79 | ALDH1A1 (0.45) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL14756003 | 0.78 | BRD4 (0.53) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL14755999 | 0.77 | BRD4 (0.54) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL26071758 | 0.77 | BRD4 (0.45) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL30366396 | 0.77 | BRD4 (0.45) | PDK1PDK2PDK3PDK4HTT |
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 |