Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 3/20 | 0.47 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | CHKA | P35790 | 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 | |
|---|---|---|---|---|
| SCHEMBL30367038 | 0.91 | CYP1A2 (0.50) | CYP1A2NCF1KDM1AEGFRPDGFRB | |
| SCHEMBL30367213 | 0.89 | CYP1A2 (0.49) | CYP1A2NCF1KDM1AEGFRPDGFRB | |
| SCHEMBL30367448 | 0.85 | KDM1A (0.50) | CYP1A2NCF1KDM1AEGFRPDGFRB | |
| SCHEMBL30367177 | 0.84 | CYP1A2 (0.47) | CYP1A2NCF1KDM1AEGFRPDGFRB | |
| SCHEMBL25992599 | 0.82 | MEN1 (0.46) | CYP1A2NCF1KDM1A | |
| SCHEMBL30366693 | 0.80 | LMNA (0.49) | CYP1A2EGFRPDGFRBKDR | |
| SCHEMBL6790532 | 0.80 | CYP1A2 (0.60) | CYP1A2NCF1KDM1A | |
| SCHEMBL23037554 | 0.79 | CYP1A2 (0.42) | CYP1A2NCF1 | |
| SCHEMBL21883075 | 0.78 | MAPT (0.43) | CYP1A2NCF1 | |
| SCHEMBL30366783 | 0.78 | CYP1A2 (0.52) | CYP1A2EGFRPDGFRBKDR |
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-111825610-B | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2023-03-31 | — | — | CN | disclosed |