Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL1710329 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL1710177 | 0.83 | P2RX3 (0.34) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL1722176 | 0.81 | P2RX3 (0.33) | — | |
| SCHEMBL1710353 | 0.74 | NPC1 (0.39) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL1710219 | 0.73 | MBOAT4 (0.37) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL1710200 | 0.69 | NPC1 (0.41) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL1710191 | 0.67 | — | — | |
| SCHEMBL1710278 | 0.65 | NPC1 (0.38) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL1710228 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL1710225 | 0.64 | MBOAT4 (0.40) | — |
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 2 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 | disclosed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | disclosed |