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 | 1.00 |
| ▸ | EDNRB known ✓ | P24530 | 12/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | DHPS | P49366 | 1/20 | 1.00 |
| ▸ | NR1H3 | Q13133 | 1/20 | 1.00 |
| ▸ | NR1I3 | Q14994 | 1/20 | 1.00 |
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 SCHEMBL4218 | 1.00 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL29485039 | 1.00 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL902870 | 1.00 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL1411298 | 0.99 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL618415 | 0.99 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL977683 | 0.99 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL617167 | 0.99 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL2723442 | 0.99 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL615991 | 0.99 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL902742 | 0.99 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050074425-A1 | Method for delivering polymerized therapeutic agent compositions and compositions thereof | POLYCORD, INC. (US) | 2005-04-07 | — | — | US | claimed |
| WO-2005002597-A1 | METHOD FOR DELIVERING POLYMERIZED THERAPEUTIC AGENT COMPOSITIONS AND COMPOSITIONS THEREOF | POLYCORD, INC. (US) | 2005-01-13 | — | — | WO | claimed |
| EP-3675838-A1 | LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS | Puretecch LYT, Inc. (US) | 2020-07-08 | — | — | EP | disclosed |
| WO-2019046491-A1 | LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS | ARIYA THERAPEUTICS, INC. (US) | 2019-03-07 | — | — | WO | disclosed |
| EP-1768660-A4 | COMPOUNDS AND METHODS FOR TREATING DIABETIC VASCULAR DISEASES | ATHEROGENICS INC (US) | 2009-05-13 | — | — | EP | disclosed |
| EP-1768660-A2 | COMPOUNDS AND METHODS FOR TREATING DIABETIC VASCULAR DISEASES | Atherogenics, Inc. (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006007508-A2 | COMPOUNDS AND METHODS FOR TREATING DIABETIC VASCULAR DISEASES | ATHEROGENICS, INC. (US) | 2006-01-19 | — | — | WO | disclosed |
| WO-2005110478-A2 | COMBINATION THERAPY FOR TREATING FIBROTIC DISORDERS | INTERMUNE, INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| US-20050074425-A1 | Method for delivering polymerized therapeutic agent compositions and compositions thereof | POLYCORD, INC. (US) | 2005-04-07 | — | — | US | disclosed |
| WO-2005002597-A1 | METHOD FOR DELIVERING POLYMERIZED THERAPEUTIC AGENT COMPOSITIONS AND COMPOSITIONS THEREOF | POLYCORD, INC. (US) | 2005-01-13 | — | — | WO | disclosed |
| WO-2004105684-A2 | COMBINATION THERAPY FOR PROLIFERATIVE DISORDERS | INTERMUNE, INC. (US) | 2004-12-09 | — | — | WO | disclosed |