Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 4/20 | 0.43 |
| ▸ | EDNRA | P25101 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL8551064 | 0.92 | EDNRB (0.47) | EDNRBEDNRAKDM4EALDH1A1HPGD | |
| SCHEMBL8546571 | 0.90 | EDNRB (0.47) | EDNRBEDNRAKDM4EALDH1A1HPGD | |
| SCHEMBL8550371 | 0.90 | EDNRB (0.53) | EDNRBEDNRAKDM4EALDH1A1HPGD | |
| SCHEMBL8552319 | 0.89 | EDNRB (0.45) | EDNRBEDNRAAGTR1AGTR2CA9 | |
| SCHEMBL8548088 | 0.86 | EDNRB (0.47) | EDNRBEDNRAKDM4EALDH1A1HPGD | |
| SCHEMBL8548304 | 0.86 | EDNRB (0.44) | EDNRBEDNRAKDM4EALDH1A1HPGD | |
| SCHEMBL8551995 | 0.85 | EDNRB (0.41) | EDNRBEDNRAAGTR1AGTR2 | |
| SCHEMBL8551102 | 0.84 | EDNRB (0.45) | EDNRBEDNRAKDM4EALDH1A1HPGD | |
| SCHEMBL8546724 | 0.82 | EDNRB (0.57) | EDNRBEDNRAKDM4ENCOA3 | |
| SCHEMBL8552497 | 0.82 | EDNRB (0.43) | EDNRBEDNRAKDM4EALDH1A1HPGD |
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 |