Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | TOP2A | P11388 | 15/20 | 0.45 |
| ▸ | TOP1 | P11387 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | TOP2B | Q02880 | 8/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7009239 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7009229 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7009232 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7849661 | 0.82 | KMT2A (0.51) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL8182327 | 0.82 | KMT2A (0.51) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7004804 | 0.81 | CYP3A4 (0.71) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7009205 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL8479016 | 0.80 | ALDH1A1 (0.69) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7004969 | 0.80 | ALDH1A1 (0.69) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 | |
| SCHEMBL7010026 | 0.80 | ALDH1A1 (0.69) | CYP3A4CYP2C9TOP2ATOP1ALDH1A1 |
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-0911336-B1 | PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF | DAINIPPON PHARMACEUTICAL CO (JP) | 2001-11-28 | — | — | EP | disclosed |
| US-6017911-A | BACTERICIDES | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0911336-A1 | PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1999-04-28 | — | — | EP | disclosed |