Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7258640 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP2A6CYP2C9CYP2C19CHRM2 | |
| SCHEMBL7259043 | 0.80 | CYP1A2 (0.48) | CYP3A4CYP2A6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL7257184 | 0.77 | CYP1A2 (0.51) | CYP2A6CYP2C19LMNACYP17A1 | |
| SCHEMBL7253990 | 0.76 | CYP11B2 (0.37) | CYP3A4CYP2A6CYP2C9CYP2C19MAPT | |
| SCHEMBL7258682 | 0.74 | GCGR (0.45) | CYP2A6MAPTALDH1A1KDM4EGAA | |
| SCHEMBL7257212 | 0.74 | APP (0.48) | CYP3A4CYP2A6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7258670 | 0.72 | CYP1A2 (0.51) | CYP3A4CYP2A6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL7257202 | 0.69 | CYP1A2 (0.54) | CYP2A6CYP2C19CYP17A1RPS6KA3 | |
| SCHEMBL7257157 | 0.69 | CACNA1B (0.39) | CYP3A4CYP2A6CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL7253719 | 0.69 | HSP90AA1 (0.41) | CYP3A4CYP2A6CYP2C9CYP2C19MAPT |
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-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |