Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 3/20 | 0.32 |
| ▸ | TAB1 | Q15750 | 3/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4318902 | 0.85 | CYP2C9 (0.45) | CYP2C9CYP2C19CYP3A4TRPA1MAP3K7 | |
| SCHEMBL4324611 | 0.85 | CYP3A4 (0.39) | CYP2C9CYP2C19CYP3A4TRPA1LRRK2 | |
| SCHEMBL1086260 | 0.79 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3709081 | 0.77 | CDK2 (0.43) | CYP3A4TRPA1LRRK2 | |
| SCHEMBL3505507 | 0.76 | MTNR1A (0.38) | CYP2C9CYP3A4 | |
| SCHEMBL3700075 | 0.74 | CDC7 (0.34) | CYP3A4 | |
| SCHEMBL1086078 | 0.73 | CYP2C9 (0.65) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3701118 | 0.72 | GRM8 (0.40) | LRRK2JAK3 | |
| SCHEMBL3505627 | 0.72 | BRAF (0.41) | CYP2C9CYP2C19CYP3A4BTK | |
| SCHEMBL1816955 | 0.72 | CYP2C9 (0.37) | CYP2C9CYP2C19CYP3A4JAK3 |
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-2009143024-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2009-11-26 | — | — | WO | disclosed |