Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 9/20 | 0.64 |
| ▸ | PDK2 | Q15119 | 9/20 | 0.64 |
| ▸ | PDK3 | Q15120 | 9/20 | 0.64 |
| ▸ | PDK4 | Q16654 | 9/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16586031 | 1.00 | PDK1 (0.64) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL17018033 | 1.00 | PDK1 (0.64) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL17018039 | 0.86 | PDK1 (0.61) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL26071790 | 0.85 | NOTUM (0.62) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL26080610 | 0.85 | NOTUM (0.62) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL16590074 | 0.84 | NOTUM (0.59) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL26079007 | 0.84 | NOTUM (0.59) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL22262707 | 0.83 | PDK1 (0.59) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL911935 | 0.83 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL26079771 | 0.82 | ALDH1A1 (0.50) | PDK1PDK2PDK3PDK4ALDH1A1 |
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-4165045-A1 | DUAL KINASE-BROMODOMAIN INHIBITORS | Monash University (AU) | 2023-04-19 | — | — | EP | disclosed |