Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CCNC | P24863 | 6/20 | 0.40 |
| ▸ | CDK8 | P49336 | 6/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7261885 | 0.87 | CYP2D6 (0.45) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 | |
| SCHEMBL7256556 | 0.84 | CYP2D6 (0.41) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 | |
| SCHEMBL7261879 | 0.77 | CYP11B1 (0.44) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 | |
| SCHEMBL12320473 | 0.75 | CYP1A2 (0.46) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 | |
| SCHEMBL27596817 | 0.75 | TRPA1 (0.43) | CYP2D6CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL7261883 | 0.73 | RPS6KA3 (0.51) | CCNCCDK8BRAFPPARAIKBKE | |
| SCHEMBL7260253 | 0.73 | BRAF (0.38) | CCNCCDK8BRAFPPARAIKBKE | |
| SCHEMBL16455593 | 0.72 | SLC22A12 (0.48) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 | |
| SCHEMBL7261854 | 0.71 | RPS6KA3 (0.50) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 | |
| SCHEMBL19441232 | 0.71 | CYP2C19 (0.49) | CYP2D6CYP2C19CYP2E1CYP2C8CYP2A6 |
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-2003027101-A1 | SUBSTITUTED 3-PYRIDYL PYRROLES AND 3-PYRIDYL PYRAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |