Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28147501 | 0.78 | ESR2 (0.44) | KDM5ANPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7219741 | 0.76 | CYP11B1 (0.44) | CYP11B1CYP11B2PRKCQPRKCDNPSR1 | |
| SCHEMBL5329333 | 0.75 | ADORA2A (0.46) | CYP11B1CYP11B2PRKCQPRKCDNPSR1 | |
| SCHEMBL5336784 | 0.72 | PRKCQ (0.54) | CYP11B1CYP11B2PRKCQPRKCDNPSR1 | |
| SCHEMBL169815 | 0.71 | CYP11B1 (0.49) | CYP11B1CYP11B2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL7220037 | 0.71 | ADORA1 (0.49) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5338888 | 0.71 | PRKCQ (0.50) | CYP11B1CYP11B2PRKCQPRKCDNPSR1 | |
| SCHEMBL1146097 | 0.70 | CYP1A2 (0.57) | CYP11B1CYP11B2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL7215513 | 0.70 | ATR (0.50) | CYP11B1CYP11B2NPSR1CYP1A2CYP2C9 | |
| Styrene SCHEMBL28401747 | 0.67 | ESR2 (0.51) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2229377-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | Wyeth LLC (US) | 2010-09-22 | — | — | EP | claimed |
| WO-2009076602-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | WYETH (US) | 2009-06-18 | — | — | WO | claimed |