Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5769097 | 0.75 | CYP19A1 (0.39) | CYP19A1 | |
| SCHEMBL5771904 | 0.71 | GABRA1 (0.46) | — | |
| SCHEMBL6220460 | 0.70 | GABRA1 (0.37) | — | |
| SCHEMBL5770131 | 0.70 | GABRA1 (0.37) | — | |
| SCHEMBL6218692 | 0.67 | BACE1 (0.40) | — | |
| SCHEMBL5768907 | 0.66 | GABRA1 (0.32) | — | |
| SCHEMBL5771083 | 0.66 | CYP19A1 (0.41) | CYP19A1CYP1A2 | |
| SCHEMBL20479677 | 0.63 | TBXAS1 (0.35) | CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23089396 | 0.62 | CYP11B1 (0.35) | — | |
| SCHEMBL376385 | 0.62 | ADORA3 (0.39) | — |
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-1383768-B1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2006-09-06 | — | — | EP | disclosed |