Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 16/20 | 0.48 |
| ▸ | EDNRB | P24530 | 14/20 | 0.48 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8555870 | 0.78 | EDNRA (0.64) | EDNRAEDNRBABCC3ABCC4ABCB11 | |
| SCHEMBL7949184 | 0.77 | EDNRA (0.50) | EDNRAEDNRBABCC3ABCC4ABCB11 | |
| SCHEMBL8556595 | 0.73 | EDNRA (0.49) | EDNRAEDNRBABCC3ABCC4ABCB11 | |
| SCHEMBL388034 | 0.70 | MAPT (0.55) | EDNRAHPGDMAPTNPC1SMN1; SMN2 | |
| SCHEMBL27496629 | 0.70 | EDNRB (0.60) | EDNRAEDNRBHPGDMAPTNPC1 | |
| SCHEMBL8973307 | 0.69 | PKM (0.45) | EDNRAHPGDMAPTNPC1PKM | |
| SCHEMBL27535427 | 0.69 | EDNRA (0.66) | EDNRAEDNRBHPGDSMN1; SMN2KDM4E | |
| SCHEMBL26347455 | 0.68 | PDE4D (0.42) | HPGDMAPTKDM4EALDH1A1 | |
| SCHEMBL3632857 | 0.68 | EDNRA (0.64) | EDNRAEDNRBABCC3ABCC4ABCB11 | |
| SCHEMBL30578472 | 0.67 | ALDH1A1 (0.40) | HPGDMAPTNPC1PKMRAB9A |
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 |