Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PREP | P48147 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696891 | 1.00 | KCNA5 (0.33) | KCNA5CYP2C19POLBCYP3A4CYP2C9 | |
| SCHEMBL4131490 | 0.91 | KCNA5 (0.33) | KCNA5CYP2C19POLBCYP3A4CYP2C9 | |
| SCHEMBL4131485 | 0.91 | KCNA5 (0.33) | KCNA5CYP2C19POLBCYP3A4CYP2C9 | |
| SCHEMBL4131495 | 0.91 | KCNA5 (0.33) | KCNA5CYP2C19POLBCYP3A4CYP2C9 | |
| SCHEMBL4695568 | 0.87 | GRIN2B (0.35) | KCNA5 | |
| SCHEMBL4695565 | 0.87 | GRIN2B (0.35) | KCNA5 | |
| SCHEMBL4695570 | 0.87 | GRIN2B (0.35) | KCNA5 | |
| SCHEMBL2066952 | 0.86 | KCNA5 (0.36) | KCNA5CYP2C19POLBCYP3A4CYP2C9 | |
| SCHEMBL20557817 | 0.86 | KCNA5 (0.36) | KCNA5CYP2C19POLBCYP3A4CYP2C9 | |
| SCHEMBL4142823 | 0.85 | TSHR (0.37) | KCNA5CYP2C19POLBCYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |