Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 20/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.74 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.74 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.73 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL19336381 | 0.90 | GRM2 (0.81) | GRM2KCNH2NR1I2 | |
| SCHEMBL16162889 | 0.90 | GRM2 (1.00) | GRM2KCNH2NR1I2 | |
| SCHEMBL19336382 | 0.88 | GRM2 (0.75) | GRM2KCNH2CACNA1CGRM3 | |
| SCHEMBL14932978 | 0.88 | GRM2 (1.00) | GRM2KCNH2NR1I2 | |
| SCHEMBL14933054 | 0.88 | GRM2 (1.00) | GRM2KCNH2NR1I2CACNA1CGRM3 | |
| SCHEMBL14932860 | 0.88 | GRM2 (1.00) | GRM2KCNH2NR1I2CACNA1CGRM3 | |
| SCHEMBL14933045 | 0.88 | GRM2 (1.00) | GRM2KCNH2NR1I2CACNA1CGRM3 | |
| Cyclopropane SCHEMBL14921322 | 0.87 | GRM2 (0.76) | GRM2KCNH2NR1I2 | |
| SCHEMBL14932966 | 0.87 | GRM2 (1.00) | GRM2KCNH2NR1I2 | |
| SCHEMBL14932937 | 0.86 | GRM2 (1.00) | GRM2KCNH2NR1I2CACNA1CGRM3 |
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 |