Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 9/20 | 0.44 |
| ▸ | EDNRA | P25101 | 10/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8337440 | 0.88 | ABCB11 (0.50) | ABCB11CCR4EDNRA | |
| SCHEMBL8340859 | 0.88 | ABCB11 (0.46) | ABCB11CCR4EDNRA | |
| SCHEMBL8340865 | 0.87 | ABCB11 (0.47) | ABCB11CCR4EDNRA | |
| SCHEMBL8340270 | 0.84 | ABCB11 (0.49) | ABCB11CCR4EDNRA | |
| SCHEMBL8339803 | 0.81 | CCR4 (0.49) | ABCB11CCR4EDNRA | |
| SCHEMBL8340812 | 0.80 | EDNRA (0.49) | ABCB11CCR4EDNRA | |
| SCHEMBL8334440 | 0.79 | CCR4 (0.47) | ABCB11CCR4EDNRA | |
| SCHEMBL8334080 | 0.79 | CCR4 (0.47) | ABCB11CCR4EDNRA | |
| SCHEMBL8334011 | 0.78 | CCR4 (0.48) | ABCB11CCR4EDNRA | |
| SCHEMBL8340253 | 0.78 | EDNRA (0.50) | ABCB11CCR4EDNRA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5866568-A | ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY | ZENECA LIMITED (GB) | 1999-02-02 | — | — | US | disclosed |