Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 15/20 | 0.63 |
| ▸ | EDNRA | P25101 | 13/20 | 0.63 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8548007 | 0.95 | EDNRB (0.58) | EDNRBEDNRAERN1HCRTR1HCRTR2 | |
| SCHEMBL8550833 | 0.94 | EDNRB (0.56) | EDNRBEDNRAERN1HCRTR1HCRTR2 | |
| SCHEMBL8547924 | 0.93 | EDNRB (0.56) | EDNRBEDNRAERN1HCRTR1HCRTR2 | |
| SCHEMBL8550472 | 0.93 | EDNRB (0.56) | EDNRBEDNRAERN1HCRTR1HCRTR2 | |
| SCHEMBL8552822 | 0.91 | EDNRB (0.58) | EDNRBEDNRAERN1HCRTR1HCRTR2 | |
| SCHEMBL8594148 | 0.89 | EDNRB (0.79) | EDNRBEDNRA | |
| SCHEMBL8550537 | 0.87 | EDNRB (0.53) | EDNRBEDNRAERN1HCRTR1HCRTR2 | |
| SCHEMBL8548806 | 0.87 | EDNRB (0.53) | EDNRBEDNRAHCRTR1HCRTR2 | |
| SCHEMBL8547606 | 0.87 | EDNRB (0.56) | EDNRBEDNRA | |
| SCHEMBL8547839 | 0.86 | EDNRB (0.52) | EDNRBEDNRAERN1HCRTR1HCRTR2 |
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-0863898-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019077-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-05-29 | — | — | WO | disclosed |