Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 15/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 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 | |
|---|---|---|---|---|
| SCHEMBL13093039 | 0.85 | BDKRB2 (0.47) | BDKRB2CYP3A4ADORA2ACYP2C19 | |
| SCHEMBL13145991 | 0.77 | BDKRB2 (0.53) | BDKRB2CYP3A4 | |
| SCHEMBL12711885 | 0.77 | BDKRB2 (0.55) | BDKRB2 | |
| SCHEMBL13145973 | 0.76 | BDKRB2 (0.78) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL12712392 | 0.73 | BDKRB2 (0.64) | BDKRB2CYP3A4 | |
| SCHEMBL12711423 | 0.73 | BDKRB2 (0.60) | BDKRB2CYP3A4ADORA2ACYP2C19 | |
| SCHEMBL13093251 | 0.72 | BDKRB2 (0.41) | BDKRB2CYP3A4RORC | |
| SCHEMBL12711400 | 0.72 | BDKRB2 (0.52) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL13093092 | 0.72 | BDKRB2 (0.61) | BDKRB2CYP3A4ADORA2ACYP2C19CD38 | |
| SCHEMBL12711916 | 0.72 | BDKRB2 (0.62) | BDKRB2CYP3A4ADORA2ACYP2C19 |
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 |