Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 18/20 | 0.78 |
| ▸ | EDNRB | P24530 | 15/20 | 0.78 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.60 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | DHPS | P49366 | 1/20 | 0.60 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.60 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201100 | 0.92 | EDNRA (0.77) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7818564 | 0.88 | EDNRA (0.80) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7198139 | 0.88 | EDNRA (0.67) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7868520 | 0.86 | EDNRA (0.77) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7815006 | 0.84 | EDNRA (0.78) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7198544 | 0.83 | EDNRA (0.81) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7200387 | 0.83 | EDNRA (0.80) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL9092371 | 0.80 | EDNRB (0.83) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7194656 | 0.80 | EDNRB (0.82) | EDNRAEDNRB | |
| SCHEMBL7198236 | 0.80 | EDNRA (0.56) | EDNRAEDNRBABCC3ABCC4NR1I2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6596719-B1 | Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the | ACTELIO PHARMACEUTICALS LTD. (CH) | 2003-07-22 | — | — | US | disclosed |
| EP-1137642-A1 | BIS-SULFONAMIDES | Actelion Pharmaceuticals Ltd. (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2001017976-A1 | BIS-SULFONAMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2001-03-15 | — | — | WO | disclosed |