Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.47 |
| ▸ | ECE1 | P42892 | 1/20 | 0.47 |
| ▸ | GPR132 | Q9UNW8 | 5/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7027635 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2C9EPHX2ITGB3 | |
| SCHEMBL21625040 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9ITGB3ITGA2B | |
| SCHEMBL21625039 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9ITGB3ITGA2B | |
| SCHEMBL22129697 | 0.86 | ITGB3 (0.64) | ITGB3ITGA2BFOLH1 | |
| SCHEMBL22129699 | 0.86 | ITGB3 (0.64) | ITGB3ITGA2BFOLH1 | |
| SCHEMBL9350149 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2C9EPHX2NAPRT | |
| SCHEMBL1133843 | 0.82 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2C9FOLH1HRH1 | |
| SCHEMBL22635849 | 0.82 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2C9FOLH1HRH1 | |
| SCHEMBL29666227 | 0.82 | ERAP2 (0.52) | CYP3A4FOLH1SLC15A2ECE1HRH1 | |
| SCHEMBL8524876 | 0.82 | ITGB3 (0.62) | ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0822827-B1 | ANTAGONISTS OF LHRH | UNIV TEXAS (US) | 2003-03-05 | — | — | EP | disclosed |