Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | GRM5 | P41594 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1794489 | 0.90 | GRM5 (0.64) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL1795855 | 0.86 | GRM5 (0.54) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL30761123 | 0.84 | CYP1A2 (0.69) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL1793909 | 0.84 | KMT2A (0.53) | CYP1A2CYP2C9CYP3A4GRM5SORT1 | |
| SCHEMBL1793853 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL1796965 | 0.83 | CYP3A4 (0.70) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL1798156 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL1795787 | 0.81 | SMN1; SMN2 (0.52) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 | |
| SCHEMBL1796836 | 0.80 | SORT1 (0.52) | CYP1A2CYP2C9CYP3A4GRM5SORT1 | |
| SCHEMBL1792907 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP3A4GRM5SLC6A3 |
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 |