Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bosentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA known ✓ | P25101 | 20/20 | 0.98 |
| ▸ | EDNRB known ✓ | P24530 | 12/20 | 0.98 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.98 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.98 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.98 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.98 |
| ▸ | DHPS | P49366 | 1/20 | 0.98 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.98 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Bosentan SCHEMBL617167 | 1.00 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL4218 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL29485039 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL3981779 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL902870 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL615991 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL628837 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL979668 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL977683 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL2723442 | 0.98 | EDNRA (0.98) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4096633-A1 | DOSAGES AND METHODS FOR TREATING PULMONARY ARTERIAL HYPERTENSION WITH RODATRISTAT | Altavant Sciences GmbH (CH) | 2022-12-07 | — | — | EP | disclosed |
| CN-115379825-A | Dosage and method for treating pulmonary hypertension with rodatristat | 阿尔塔万特科学公司 | 2022-11-22 | — | — | CN | disclosed |
| WO-2022198259-A1 | TREATMENT METHODS FOR PULMONARY ARTERIAL HYPERTENSION | THE HEART RESEARCH INSTITUTE LTD (AU) | 2022-09-29 | — | — | WO | disclosed |
| CN-114533738-A | Bosentan solid pharmaceutical composition and preparation method thereof | 苏州海景医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |