Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595492 | 0.86 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP2C9CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL2596228 | 0.84 | SMN1; SMN2 (0.35) | SMN1; SMN2CYP2C9CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL2590547 | 0.77 | SMYD3 (0.33) | ALDH1A1 | |
| SCHEMBL2590550 | 0.77 | SMYD3 (0.33) | ALDH1A1 | |
| SCHEMBL2593232 | 0.74 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP2C9ALDH1A1ALOX5AP | |
| SCHEMBL2595298 | 0.73 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP2C9CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL2595294 | 0.73 | BRD4 (0.31) | — | |
| SCHEMBL2595542 | 0.69 | ALDH1A1 (0.36) | SMN1; SMN2CYP2C9CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL2593264 | 0.67 | SLC6A2 (0.41) | SMN1; SMN2 | |
| SCHEMBL2596234 | 0.66 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2C9CYP3A4ALDH1A1CYP1A2 |
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-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |