Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16670756 | 0.84 | CYP2A6 (0.42) | CYP1A2CYP2C19ALKCYP2A6CYP3A4 | |
| SCHEMBL2723781 | 0.81 | ALK (0.39) | CYP1A2CYP2C19ALKCYP2A6CYP3A4 | |
| SCHEMBL16671156 | 0.75 | PKM (0.42) | CYP1A2ADORA2AADORA1DYRK1APKM | |
| SCHEMBL28021139 | 0.68 | IDO1 (0.54) | CYP1A2ALKCYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL16671557 | 0.67 | ALK (0.40) | CYP1A2CYP2C19ALKMKNK1MKNK2 | |
| SCHEMBL290281 | 0.67 | NPC1 (0.44) | CYP1A2CYP2C19ADORA2AADORA1MKNK1 | |
| SCHEMBL20729480 | 0.66 | CYP2A6 (0.54) | CYP1A2CYP2C19ADORA2AADORA1MKNK1 | |
| Hydrochloric Acid SCHEMBL30994427 | 0.66 | NPC1 (0.43) | CYP1A2CYP2C19ADORA2AADORA1MKNK1 | |
| Hydrochloric Acid SCHEMBL29282726 | 0.66 | NPC1 (0.43) | CYP1A2CYP2C19ADORA2AADORA1MKNK1 | |
| Hydrochloric Acid SCHEMBL290178 | 0.66 | NPC1 (0.43) | CYP1A2CYP2C19ADORA2AADORA1MKNK1 |
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-3071036-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | Dow AgroSciences LLC (US) | 2016-09-28 | — | — | EP | disclosed |
| WO-2015061165-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC (US) | 2015-04-30 | — | — | WO | disclosed |