Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638102 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL17372418 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL28960555 | 0.81 | MEN1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19NPC1 | |
| SCHEMBL29278770 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL31511878 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL25286226 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL31012324 | 0.75 | CYP2C19 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL17372399 | 0.75 | CYP2C19 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL17165346 | 0.72 | PIK3CA (0.44) | NPC1RAB9ABRD4GDAXDH | |
| SCHEMBL31258318 | 0.72 | PIK3CA (0.44) | NPC1RAB9ABRD4GDAXDH |
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 |
|---|---|---|---|---|---|---|---|
| CN-115724920-A | Nucleic acid vaccine for coronavirus and influenza virus | 中国人民解放军军事科学院军事医学研究院 | 2023-03-03 | — | — | CN | disclosed |