Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Darusentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB known ✓ | P24530 | 20/20 | 0.80 |
| ▸ | EDNRA known ✓ | P25101 | 20/20 | 0.80 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.59 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Darusentan SCHEMBL1068546 | 0.89 | EDNRB (1.00) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| Darusentan SCHEMBL795084 | 0.89 | EDNRB (1.00) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL1068402 | 0.86 | EDNRB (0.81) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL2350734 | 0.86 | EDNRB (0.81) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL15999837 | 0.83 | EDNRB (0.76) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL7934042 | 0.82 | EDNRB (1.00) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL13066899 | 0.82 | EDNRB (0.86) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL8021756 | 0.81 | EDNRB (0.86) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL8014408 | 0.80 | EDNRB (0.70) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL1067657 | 0.79 | EDNRB (0.69) | EDNRBEDNRANR1I2KCNE1KCNQ1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1110952-B9 | Carboxylic acid derivatives, their preparation and use | ABBOTT GMBH & CO KG (DE) | 2004-12-15 | — | — | EP | claimed |
| EP-1110952-B1 | Carboxylic acid derivatives, their preparation and use | ABBOTT GMBH & CO KG (DE) | 2004-09-29 | — | — | EP | claimed |
| US-6030975-A | ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |