Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | HTR2B | P41595 | 4/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4716775 | 0.84 | PARP1 (0.47) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL5629753 | 0.77 | PARP1 (0.41) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4716160 | 0.74 | RORC (0.42) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4711834 | 0.73 | BDKRB1 (0.49) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4714835 | 0.68 | BDKRB1 (0.60) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4716069 | 0.66 | BDKRB1 (0.45) | BDKRB1 | |
| SCHEMBL5629725 | 0.66 | PARP1 (0.46) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4717373 | 0.65 | BDKRB1 (0.53) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4715045 | 0.64 | PARP1 (0.47) | PARP1GRM1HTR2AHTR2CHTR2B | |
| SCHEMBL4716174 | 0.63 | BDKRB1 (0.42) | PARP1GRM1HTR2AHTR2CHTR2B |
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-1877401-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | Elan Pharmaceuticals Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006113140-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | ELAN PHARMACEUTICALS, INC. (US) | 2006-10-26 | — | — | WO | disclosed |