Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 20/20 | 0.56 |
| ▸ | EDNRB | P24530 | 14/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | DHPS | P49366 | 1/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.56 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7819733 | 0.89 | EDNRA (0.64) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL914924 | 0.86 | EDNRA (0.75) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL1258622 | 0.85 | EDNRA (0.72) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7429601 | 0.84 | EDNRA (0.70) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL3417934 | 0.83 | EDNRA (0.54) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL15257225 | 0.80 | EDNRA (0.61) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL1938981 | 0.78 | EDNRA (0.78) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL15279583 | 0.78 | EDNRA (0.61) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL1937757 | 0.76 | EDNRA (0.49) | EDNRAEDNRBDHPS | |
| SCHEMBL3105024 | 0.75 | EDNRA (0.82) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240469-A2 | SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN | Actavis Group PTC EHF (IS) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009093127-A2 | SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN | ACTAVIS GROUP PTC EHF (IS) | 2009-07-30 | — | — | WO | disclosed |