Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 15/20 | 0.42 |
| ▸ | EDNRB | P24530 | 14/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8557361 | 0.91 | EDNRA (0.43) | EDNRAEDNRBHSD17B10RAB9AABCC3 | |
| SCHEMBL8561556 | 0.88 | EDNRA (0.44) | EDNRAEDNRBHSD17B10RAB9AABCC3 | |
| SCHEMBL8557591 | 0.87 | EDNRA (0.44) | EDNRAEDNRBHSD17B10RAB9AABCC3 | |
| SCHEMBL8627060 | 0.85 | EDNRA (0.42) | EDNRAEDNRBHSD17B10RAB9AABCC3 | |
| SCHEMBL8556595 | 0.74 | EDNRA (0.49) | EDNRAEDNRBALDH1A1HSD17B10RAB9A | |
| SCHEMBL6313203 | 0.70 | EDNRA (0.63) | EDNRAEDNRBSMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL7949184 | 0.68 | EDNRA (0.50) | EDNRAEDNRBSMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL8556598 | 0.68 | HSD17B10 (0.36) | EDNRAEDNRBPKMSMN1; SMN2HSD17B10 | |
| SCHEMBL7947366 | 0.67 | EDNRA (0.60) | EDNRAEDNRBABCC3ABCC4ABCB11 | |
| SCHEMBL8563724 | 0.65 | ALDH1A1 (0.44) | EDNRAEDNRBALDH1A1SMN1; SMN2HSD17B10 |
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-0885219-A1 | N-(2,1,3-BENZOTHIA(OXA)DIAZOLYL)-SULPHONAMIDES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997030996-A1 | N-(2,1,3-BENZOTHIA(OXA)DIAZOLYL)-SULPHONAMIDES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-08-28 | — | — | WO | disclosed |