Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TOP2A | P11388 | 2/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 6/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7004180 | 0.88 | CYP3A4 (0.57) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7008172 | 0.85 | CYP3A4 (0.52) | CYP2C9CYP3A4TOP2ATOP2BALDH1A1 | |
| SCHEMBL7012892 | 0.85 | CYP3A4 (0.52) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7858473 | 0.83 | CYP3A4 (0.52) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7857527 | 0.82 | CYP3A4 (0.50) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7861219 | 0.82 | CYP3A4 (0.75) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7858346 | 0.81 | CYP3A4 (0.61) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7850995 | 0.80 | CYP3A4 (0.62) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7859695 | 0.79 | CYP3A4 (0.68) | CYP2C9CYP3A4TOP2ATOP2BPOLB | |
| SCHEMBL7861232 | 0.78 | STAT3 (0.59) | CYP2C9CYP3A4TOP2ATOP2BPOLB |
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 |