Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1797163 | 0.85 | CYP1A2 (0.46) | GRM5CYP1A2CYP2C9CYP3A4SLC6A3 | |
| SCHEMBL1796318 | 0.84 | GRM5 (0.57) | GRM5 | |
| SCHEMBL1796217 | 0.81 | IRAK4 (0.47) | GRM5 | |
| SCHEMBL1796498 | 0.79 | TLR7 (0.43) | GRM5CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL1794911 | 0.79 | HPGDS (0.49) | GRM5CYP1A2CYP2C9CYP3A4SLC6A3 | |
| SCHEMBL1795560 | 0.78 | GRM5 (0.53) | GRM5CYP1A2CYP2C9CYP3A4SLC6A3 | |
| SCHEMBL1796064 | 0.77 | MEN1 (0.47) | GRM5CYP1A2CYP2C9CYP3A4SLC6A3 | |
| SCHEMBL4772437 | 0.76 | MKNK1 (0.49) | CYP1A2CYP2C9CYP3A4PIK3CGADORA2A | |
| SCHEMBL1794050 | 0.75 | GRM5 (0.44) | GRM5 | |
| SCHEMBL1794079 | 0.75 | GRM5 (0.47) | GRM5CYP1A2CYP2C9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7951824-B2 | 4-aryl-pyridine-2-carboxyamide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-05-31 | — | — | US | claimed |
| US-7951824-B2 | 4-aryl-pyridine-2-carboxyamide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-05-31 | — | — | US | disclosed |