Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25246139 | 0.84 | MAPT (0.33) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29617888 | 0.81 | CDK9 (0.44) | CDK9DYRK1ADYRK2HSP90AA1HSP90AB1 | |
| SCHEMBL24854026 | 0.79 | NPC1 (0.37) | CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1 | |
| SCHEMBL24854490 | 0.78 | CYP1A2 (0.34) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL23370331 | 0.78 | CYP1A2 (0.34) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL23370440 | 0.77 | CYP1A2 (0.37) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL25286409 | 0.75 | RORC (0.33) | CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1 | |
| SCHEMBL23370304 | 0.74 | CYP1A2 (0.33) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29617882 | 0.74 | RXRA (0.33) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29617881 | 0.74 | RXRA (0.33) | HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2C19 |
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-2022092084-A1 | FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | クミアイ化学工業株式会社 | 2022-05-05 | — | — | WO | disclosed |