Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 7/20 | 0.48 |
| ▸ | EDNRA | P25101 | 4/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL8547617 | 0.92 | EDNRB (0.58) | EDNRBEDNRAKMT2AMEN1MAPT | |
| SCHEMBL8548108 | 0.90 | EDNRB (0.48) | EDNRBEDNRAPLA2G2A | |
| SCHEMBL8552319 | 0.90 | EDNRB (0.45) | EDNRBEDNRAPLA2G2AKMT2AMEN1 | |
| SCHEMBL8551689 | 0.89 | EDNRB (0.61) | EDNRBEDNRA | |
| SCHEMBL8546571 | 0.89 | EDNRB (0.47) | EDNRBEDNRAKMT2AMEN1ATM | |
| SCHEMBL8548080 | 0.89 | EDNRB (0.49) | EDNRBEDNRAKMT2AMEN1MAPT | |
| SCHEMBL8551727 | 0.88 | EDNRB (0.47) | EDNRBEDNRAPLA2G2AMAPT | |
| SCHEMBL8546737 | 0.88 | EDNRB (0.49) | EDNRBEDNRAKMT2AMEN1MAPT | |
| SCHEMBL8547683 | 0.87 | EDNRB (0.41) | EDNRBEDNRAPLA2G2AKMT2AMEN1 | |
| SCHEMBL8552706 | 0.85 | EDNRB (0.55) | EDNRBEDNRAKMT2AMEN1MAPT |
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 |