Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | BRD2 | P25440 | 2/20 | 0.44 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 10/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 10/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 10/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 10/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 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 | |
|---|---|---|---|---|
| SCHEMBL14756238 | 0.91 | HSD17B3 (0.48) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL30366745 | 0.91 | HSD17B3 (0.48) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL30366739 | 0.91 | HSD17B3 (0.48) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL30366544 | 0.91 | HSD17B3 (0.48) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL26071930 | 0.91 | HSD17B3 (0.48) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL26079006 | 0.90 | ALDH1A1 (0.48) | ALDH1A1NPC1HTTRAB9AMAPK1 | |
| SCHEMBL30366947 | 0.90 | HSD17B3 (0.49) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL18871760 | 0.87 | MAPK1 (0.53) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL14756003 | 0.87 | BRD4 (0.53) | ALDH1A1NPC1HTTRAB9ABRD4 | |
| SCHEMBL26072484 | 0.87 | PDK1 (0.48) | ALDH1A1NPC1HTTRAB9AMAPK1 |
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 |