Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13577264 | 0.90 | MAPT (0.43) | CACNA1CGNRHRPDE4APDE4BPDE4C | |
| SCHEMBL30002533 | 0.90 | GNRHR (0.43) | CACNA1CGNRHRPDE4APDE4BPDE4C | |
| SCHEMBL4301135 | 0.90 | GNRHR (0.43) | CACNA1CGNRHRPDE4APDE4BPDE4C | |
| SCHEMBL30002430 | 0.89 | GNRHR (0.38) | CACNA1CGNRHREGFRPDE4APDE4B | |
| Hydrochloric Acid SCHEMBL30425693 | 0.89 | GNRHR (0.43) | CACNA1CGNRHRPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL3100373 | 0.89 | GNRHR (0.43) | CACNA1CGNRHRPDE4APDE4BPDE4C | |
| SCHEMBL13577269 | 0.85 | FLT1 (0.39) | CACNA1CGNRHREGFRKDM4EGAA | |
| SCHEMBL13577279 | 0.85 | MAPT (0.37) | CACNA1CGNRHRPDE4APDE4BPDE4C | |
| SCHEMBL13577265 | 0.84 | CACNA1C (0.38) | CACNA1CGNRHRSMN1; SMN2KDM4EGAA | |
| SCHEMBL13577220 | 0.82 | CACNA1C (0.40) | CACNA1CGNRHRPDE4APDE4BPDE4C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |