Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.34 |
| ▸ | FLT3 | P36888 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133128 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CA1CA2LRRK2TP53 | |
| SCHEMBL29133055 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CA1CA2LRRK2TP53 | |
| SCHEMBL29133060 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CA1CA2LRRK2MAPT | |
| SCHEMBL30622258 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CA1CA2LRRK2MAPT | |
| SCHEMBL29133171 | 0.70 | TP53 (0.42) | ALDH1A1CA1CA2LRRK2TP53 | |
| SCHEMBL30622188 | 0.69 | ALDH1A1 (0.39) | ALDH1A1CA1CA2LRRK2TP53 | |
| SCHEMBL29133172 | 0.69 | ALDH1A1 (0.39) | ALDH1A1CA1CA2LRRK2TP53 | |
| SCHEMBL29133061 | 0.69 | TP53 (0.45) | ALDH1A1CA1CA2LRRK2TP53 | |
| SCHEMBL29133063 | 0.69 | ALDH1A1 (0.52) | ALDH1A1CA1CA2LRRK2MAPT | |
| SCHEMBL24725043 | 0.65 | ADRA1A (0.31) | — |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |