Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dimethyl Sulfoxide. 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 | P25101 | 19/20 | 0.66 |
| ▸ | EDNRB | P24530 | 12/20 | 0.62 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.52 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | DHPS | P49366 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31559142 | 0.96 | EDNRA (0.70) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL31559141 | 0.96 | EDNRA (0.70) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL627598 | 0.96 | EDNRA (0.70) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL629196 | 0.95 | EDNRA (0.69) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Potassium SCHEMBL31559138 | 0.95 | EDNRA (0.69) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7331882 | 0.86 | EDNRA (0.60) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7297111 | 0.86 | EDNRA (0.57) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7306773 | 0.86 | EDNRA (0.57) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| SCHEMBL7295442 | 0.84 | EDNRA (0.55) | EDNRAEDNRB | |
| SCHEMBL7296967 | 0.83 | EDNRA (0.57) | 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-2419421-A1 | PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) | Sandoz AG (CH) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010118992-A1 | PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) | SANDOZ AG (CH) | 2010-10-21 | — | — | WO | disclosed |