Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TOP1 | P11387 | 9/20 | 0.52 |
| ▸ | TOP2A | P11388 | 9/20 | 0.50 |
| ▸ | TOP2B | Q02880 | 7/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7006855 | 0.93 | CYP3A4 (0.59) | KCNH2ALDH1A1POLBCHRM2CHRM1 | |
| SCHEMBL7004969 | 0.89 | ALDH1A1 (0.69) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7010026 | 0.89 | ALDH1A1 (0.69) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8479016 | 0.89 | ALDH1A1 (0.69) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Trifluoroacetic Acid SCHEMBL8486290 | 0.85 | CYP3A4 (0.54) | KCNH2ALDH1A1POLBCHRM2CHRM1 | |
| SCHEMBL7008772 | 0.85 | CYP3A4 (0.61) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7004804 | 0.85 | CYP3A4 (0.71) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7009205 | 0.84 | CYP3A4 (0.60) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8482368 | 0.83 | ALDH1A1 (0.68) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7014529 | 0.83 | ALDH1A1 (0.68) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0787720-B1 | PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT | WAKUNAGA SEIYAKU KK (JP) | 2003-07-16 | — | — | EP | disclosed |
| US-5910498-A | NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1999-06-08 | — | — | US | disclosed |