Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 6/20 | 0.38 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TOP2A | P11388 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | FOXO1 | Q12778 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7009597 | 0.91 | GSK3B (0.44) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL7009868 | 0.91 | TOP1 (0.39) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL19729423 | 0.90 | TOP1 (0.35) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL7005814 | 0.89 | TOP1 (0.40) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL7013500 | 0.88 | TOP1 (0.40) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL6576283 | 0.85 | TOP1 (0.43) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL7010691 | 0.83 | STAT3 (0.39) | TOP1GSK3BALDH1A1HTTSTAT3 | |
| SCHEMBL7010755 | 0.83 | PIM1 (0.46) | TOP1ALDH1A1PIM1CYP3A4CYP2C9 | |
| SCHEMBL19729426 | 0.82 | — | — | |
| SCHEMBL19728853 | 0.81 | GSK3B (0.41) | TOP1GSK3BALDH1A1HTTPIM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945435-B1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMA CO LTD (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-6136823-A | BACTERICIDES OR VIRICIDES | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0945435-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |