Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 15/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL30761123 | 0.88 | CYP1A2 (0.69) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL7904776 | 0.85 | GRM5 (0.72) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL1797915 | 0.84 | GRM5 (0.58) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL7897358 | 0.84 | GRM5 (0.70) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL30761187 | 0.83 | GRM5 (0.60) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL30761110 | 0.83 | GRM5 (0.60) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL1795589 | 0.83 | CYP3A4 (0.62) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL1795855 | 0.83 | GRM5 (0.54) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL30761158 | 0.82 | GRM5 (0.59) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL13148036 | 0.81 | GRM5 (0.67) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 |
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-7951824-B2 | 4-aryl-pyridine-2-carboxyamide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-05-31 | — | — | US | disclosed |