Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.71 |
| ▸ | EDNRA | P25101 | 14/20 | 0.64 |
| ▸ | CCR4 | P51679 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387310 | 0.89 | EDNRA (0.81) | ABCB11EDNRACCR4 | |
| SCHEMBL7366024 | 0.83 | ABCB11 (1.00) | ABCB11EDNRACCR4 | |
| SCHEMBL8337440 | 0.79 | ABCB11 (0.50) | ABCB11EDNRACCR4 | |
| SCHEMBL795555 | 0.79 | EDNRA (0.66) | ABCB11EDNRACCR4 | |
| SCHEMBL1387409 | 0.78 | EDNRA (1.00) | ABCB11EDNRACCR4 | |
| SCHEMBL1387204 | 0.78 | EDNRA (0.79) | ABCB11EDNRACCR4 | |
| SCHEMBL8339964 | 0.78 | EDNRA (0.49) | ABCB11EDNRACCR4 | |
| SCHEMBL8334618 | 0.77 | CCR4 (0.51) | ABCB11EDNRACCR4 | |
| SCHEMBL8340270 | 0.77 | ABCB11 (0.49) | ABCB11EDNRACCR4 | |
| SCHEMBL7360038 | 0.76 | ABCB11 (0.83) | ABCB11EDNRACCR4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060475-A | Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof | ZENECA LIMITED (GB) | 2000-05-09 | — | — | US | disclosed |
| US-5866568-A | ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY | ZENECA LIMITED (GB) | 1999-02-02 | — | — | US | disclosed |
| EP-0832082-A1 | N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040681-A1 | N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1996-12-19 | — | — | WO | disclosed |