Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 11/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | CCR6 | P51684 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | GPR6 | P46095 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25235508 | 1.00 | CYP2C19 (0.36) | CYP2C19HTR6DRD2HTR2ACCR6 | |
| SCHEMBL2222679 | 1.00 | CYP2C19 (0.36) | CYP2C19HTR6DRD2HTR2ACCR6 | |
| SCHEMBL2279682 | 0.90 | CYP2C19 (0.34) | CYP2C19HTR6DRD2HTR2ACCR6 | |
| SCHEMBL14644516 | 0.88 | CDK7 (0.39) | CYP2C19HTR6DRD2HTR2ADRD3 | |
| SCHEMBL26246793 | 0.88 | PDE4B (0.41) | CYP2C19HTR6DRD2HTR2ADRD3 | |
| SCHEMBL20266922 | 0.88 | JAK1 (0.39) | CYP2C19HTR6DRD2HTR2ACCR6 | |
| SCHEMBL20266923 | 0.88 | JAK1 (0.39) | CYP2C19HTR6DRD2HTR2ACCR6 | |
| SCHEMBL21091383 | 0.88 | JAK1 (0.39) | CYP2C19HTR6DRD2HTR2ACCR6 | |
| SCHEMBL2273309 | 0.87 | ITK (0.38) | CYP2C19HTR6DRD2HTR2ADRD3 | |
| SCHEMBL2222165 | 0.87 | PDE4B (0.43) | CYP2C19HTR6DRD2HTR2ADRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023115327-A1 | PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION | 中国药科大学 | 2023-06-29 | — | — | WO | disclosed |