Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 11/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5317851 | 0.90 | GRM2 (0.43) | GRM2 | |
| SCHEMBL5321424 | 0.86 | GRM2 (0.60) | GRM2 | |
| SCHEMBL5321096 | 0.84 | GRM2 (0.61) | GRM2 | |
| SCHEMBL5320733 | 0.81 | GRM2 (0.47) | GRM2 | |
| SCHEMBL5319819 | 0.80 | GRM2 (0.64) | GRM2 | |
| SCHEMBL5317630 | 0.80 | GRM2 (0.66) | GRM2 | |
| SCHEMBL4946492 | 0.80 | GRM2 (0.74) | GRM2 | |
| SCHEMBL6245412 | 0.79 | GRM2 (0.70) | CYP19A1CYP2C9CYP2C19GRM2 | |
| SCHEMBL5320205 | 0.79 | GRM2 (0.63) | GRM2 | |
| SCHEMBL5318946 | 0.79 | GRM2 (0.44) | GRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773774-A2 | HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014918-A2 | HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |