Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26162643 | 0.92 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL29162256 | 0.84 | MAPK14 (0.33) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL26162626 | 0.82 | LMNA (0.34) | ALDH1A1MAPTCCNT1CDK9 | |
| SCHEMBL25199193 | 0.80 | IDH2 (0.33) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL26162646 | 0.74 | MAPK14 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL26162655 | 0.71 | PIK3CA (0.35) | CCNT1CDK9 | |
| SCHEMBL26162637 | 0.70 | MAPK14 (0.36) | ALDH1A1CYP1A2CYP2D6MAPTCYP2C19 | |
| SCHEMBL26162644 | 0.69 | GCK (0.33) | — | |
| SCHEMBL26162781 | 0.68 | MAPK14 (0.35) | — | |
| SCHEMBL27168532 | 0.68 | MAPK14 (0.35) | — |
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-116056766-A | Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof | 富士胶片株式会社 | 2023-05-02 | — | — | CN | disclosed |