Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.67 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.45 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3873165 | 0.95 | CYP19A1 (0.71) | CYP19A1CYP11B1TDP1GRM2 | |
| SCHEMBL3872062 | 0.91 | CYP19A1 (0.66) | CYP19A1CYP11B1TDP1CYP26A1KDM4E | |
| SCHEMBL12189214 | 0.86 | CYP19A1 (0.71) | CYP19A1CYP11B1 | |
| SCHEMBL3879141 | 0.82 | CYP19A1 (0.72) | CYP19A1CYP11B1SLC9A1 | |
| SCHEMBL14092717 | 0.81 | CYP19A1 (0.59) | CYP19A1TDP1GRM2SLC9A1CYP26A1 | |
| SCHEMBL3872061 | 0.81 | CYP19A1 (0.70) | CYP19A1CYP11B1CYP26A1 | |
| SCHEMBL3871739 | 0.81 | CYP19A1 (0.76) | CYP19A1CYP11B1CYP26A1 | |
| Rac-Vorozole SCHEMBL13223107 | 0.80 | CYP19A1 (1.00) | CYP19A1CYP11B1 | |
| Vorozole SCHEMBL4554 | 0.80 | CYP19A1 (1.00) | CYP19A1CYP11B1 | |
| Rac-Vorozole SCHEMBL29606650 | 0.80 | CYP19A1 (1.00) | CYP19A1CYP11B1 |
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-1874304-B1 | BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2009-07-15 | — | — | EP | claimed |