Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 20/20 | 0.81 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL14921322 | 0.93 | GRM2 (0.76) | GRM2NR1I2KCNH2 | |
| SCHEMBL19336337 | 0.90 | GRM2 (0.81) | GRM2NR1I2KCNH2 | |
| SCHEMBL16162889 | 0.90 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14932978 | 0.90 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14932966 | 0.89 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14933092 | 0.88 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14932963 | 0.88 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14933082 | 0.88 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14933090 | 0.88 | GRM2 (1.00) | GRM2NR1I2KCNH2 | |
| SCHEMBL14932961 | 0.88 | GRM2 (1.00) | GRM2NR1I2KCNH2 |
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-2775841-B1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-09-13 | — | — | EP | disclosed |