Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 20/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13146259 | 0.91 | BDKRB2 (0.58) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL1563908 | 0.85 | BDKRB2 (0.62) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL13146266 | 0.83 | BDKRB2 (0.59) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL13146237 | 0.82 | BDKRB2 (0.55) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL1710429 | 0.82 | BDKRB2 (0.43) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL1722446 | 0.81 | BDKRB2 (0.46) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL1710164 | 0.80 | BDKRB2 (0.51) | BDKRB2CYP3A4 | |
| SCHEMBL13180133 | 0.80 | BDKRB2 (0.69) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL1710376 | 0.80 | BDKRB2 (0.74) | BDKRB2CYP3A4CYP2C19 | |
| SCHEMBL12711907 | 0.80 | BDKRB2 (0.85) | BDKRB2CYP3A4CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | claimed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | claimed |
| EP-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | disclosed |