Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2691744 | 0.87 | CYP2A6 (0.45) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6024459 | 0.85 | PIK3CA (0.45) | CYP2A6ADORA1CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2730816 | 0.84 | CYP2A6 (0.43) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL10269516 | 0.82 | CYP2A6 (0.44) | CYP2A6TP53CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL14896480 | 0.80 | CYP3A4 (0.39) | CYP2A6TP53CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2690120 | 0.79 | CYP2A6 (0.49) | CYP2A6PTGS2CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2689360 | 0.79 | HTT (0.44) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL27988856 | 0.79 | CYP2A6 (0.43) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2699868 | 0.76 | CYP2A6 (0.48) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6125032 | 0.73 | CYP2A6 (0.40) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013062980-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2013-05-02 | — | — | WO | disclosed |