Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 13/20 | 0.51 |
| ▸ | EDNRB | P24530 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8624513 | 0.93 | EDNRA (0.60) | EDNRAEDNRB | |
| SCHEMBL8622136 | 0.90 | EDNRA (0.50) | EDNRAEDNRB | |
| SCHEMBL7538514 | 0.87 | EDNRA (0.55) | EDNRAEDNRBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8621856 | 0.87 | EDNRA (0.55) | EDNRAEDNRBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4586034 | 0.82 | EDNRA (0.53) | EDNRAEDNRB | |
| SCHEMBL8627924 | 0.81 | EDNRA (0.59) | EDNRAEDNRB | |
| SCHEMBL6953765 | 0.80 | EDNRA (0.65) | EDNRAEDNRB | |
| SCHEMBL8621779 | 0.79 | EDNRA (0.60) | EDNRAEDNRB | |
| SCHEMBL8684827 | 0.79 | EDNRA (0.60) | EDNRAEDNRB | |
| SCHEMBL8175303 | 0.79 | EDNRA (0.57) | EDNRAEDNRB |
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-5817693-A | Endothelin receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 1998-10-06 | — | — | US | disclosed |