Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 6/20 | 0.41 |
| ▸ | EDNRA | P25101 | 3/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | MDM4 | O15151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549255 | 0.95 | EDNRB (0.47) | EDNRBEDNRAMDM2GABRA1GABRG2 | |
| SCHEMBL8619717 | 0.94 | EDNRB (0.40) | EDNRBEDNRAMDM2GABRA1GABRG2 | |
| SCHEMBL8551981 | 0.91 | EDNRB (0.42) | EDNRBEDNRAGABRA1GABRG2GABRB3 | |
| SCHEMBL8549201 | 0.90 | EDNRB (0.40) | EDNRBEDNRAMDM2GABRA1GABRG2 | |
| SCHEMBL8547873 | 0.85 | EDNRB (0.46) | EDNRBEDNRAKDM4EHSD17B10 | |
| SCHEMBL8620818 | 0.84 | EDNRB (0.46) | EDNRBEDNRADYRK1APDCD1CD274 | |
| SCHEMBL8551108 | 0.83 | EDNRB (0.50) | EDNRBEDNRADYRK1AALOX5AP | |
| SCHEMBL8549140 | 0.83 | EDNRB (0.48) | EDNRBEDNRADYRK1AALOX5AP | |
| SCHEMBL8552726 | 0.80 | EDNRB (0.46) | EDNRBEDNRADYRK1A | |
| SCHEMBL8551478 | 0.80 | EDNRB (0.48) | EDNRBEDNRAKDM4EGAAHSD17B10 |
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 |