Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 17/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.33 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.33 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.33 |
| ▸ | GUCY1B1 | Q02153 | 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 | |
|---|---|---|---|---|
| SCHEMBL12711400 | 0.88 | BDKRB2 (0.52) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL12711406 | 0.86 | BDKRB2 (0.51) | BDKRB2CYP3A4CYP2C19ADORA2A | |
| SCHEMBL13093238 | 0.85 | BDKRB2 (0.47) | BDKRB2CYP3A4CYP2C19ADORA2A | |
| SCHEMBL12711891 | 0.85 | BDKRB2 (0.52) | BDKRB2CYP3A4 | |
| SCHEMBL12712388 | 0.84 | BDKRB2 (0.48) | BDKRB2CYP3A4CYP2C19ADORA2A | |
| SCHEMBL12712309 | 0.84 | BDKRB2 (0.52) | BDKRB2CYP3A4 | |
| SCHEMBL12711835 | 0.83 | BDKRB2 (0.62) | BDKRB2CYP3A4 | |
| SCHEMBL13093444 | 0.83 | BDKRB2 (0.51) | BDKRB2CYP3A4 | |
| SCHEMBL12711397 | 0.83 | BDKRB2 (0.48) | BDKRB2CYP3A4 | |
| SCHEMBL12711880 | 0.82 | BDKRB2 (0.48) | BDKRB2CYP3A4 |
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-2144897-B1 | 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-10-20 | — | — | EP | disclosed |