Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.66 |
| ▸ | PDE10A | Q9Y233 | 14/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1761107 | 0.87 | GRM5 (0.66) | GRM5PDE10A | |
| SCHEMBL17685489 | 0.82 | GRM5 (0.52) | GRM5PDE10ACYP1A2CYP2C9KCNH2 | |
| SCHEMBL12595513 | 0.79 | PDE10A (0.59) | GRM5PDE10A | |
| Hydrochloric Acid SCHEMBL1761121 | 0.78 | PDE10A (0.58) | GRM5PDE10A | |
| Hydrochloric Acid SCHEMBL1385315 | 0.78 | PDE10A (0.50) | GRM5PDE10A | |
| SCHEMBL1386262 | 0.76 | PDE10A (0.52) | GRM5PDE10A | |
| SCHEMBL2160345 | 0.75 | PDE10A (0.50) | PDE10A | |
| Hydrochloric Acid SCHEMBL1383785 | 0.74 | PDE10A (0.55) | GRM5PDE10A | |
| Hydrochloric Acid SCHEMBL1383957 | 0.72 | GRM5 (0.63) | GRM5 | |
| SCHEMBL15663452 | 0.71 | GRM5 (0.52) | GRM5PDE10ACYP1A2CYP2C9KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7947685-B2 | Pyrazine-2-carboxyamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-05-24 | — | — | US | disclosed |