Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 13/20 | 0.64 |
| ▸ | EDNRA | P25101 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 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 | |
|---|---|---|---|---|
| SCHEMBL8550887 | 0.94 | EDNRB (0.58) | EDNRBEDNRA | |
| SCHEMBL8551027 | 0.90 | EDNRB (0.53) | EDNRBEDNRA | |
| SCHEMBL8546992 | 0.90 | EDNRB (0.69) | EDNRBEDNRAPTGS2PPARGPLA2G2A | |
| SCHEMBL6661772 | 0.90 | EDNRB (0.79) | EDNRBEDNRAPTGS2PPARGPLA2G2A | |
| SCHEMBL8550951 | 0.89 | EDNRB (0.81) | EDNRBEDNRA | |
| SCHEMBL8552838 | 0.88 | EDNRB (0.53) | EDNRBEDNRA | |
| SCHEMBL8551602 | 0.88 | EDNRB (0.69) | EDNRBEDNRAPLA2G2A | |
| SCHEMBL8549175 | 0.87 | EDNRB (0.59) | EDNRBEDNRAPPARG | |
| SCHEMBL8551781 | 0.86 | EDNRB (0.52) | EDNRBEDNRA | |
| SCHEMBL8548530 | 0.85 | EDNRB (0.57) | EDNRBEDNRAPLA2G2A |
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 |