Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4610096 | 0.75 | IDO1 (0.35) | IDO1TDO2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL7765110 | 0.73 | GAA (0.32) | — | |
| SCHEMBL6160182 | 0.72 | SLC6A2 (0.37) | IDO1TDO2ALDH1A1CYP3A4 | |
| SCHEMBL1093213 | 0.68 | RIPK1 (0.38) | IDO1TDO2CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9701751 | 0.68 | — | — | |
| SCHEMBL13465755 | 0.66 | CYP2C19 (0.43) | CYP2C19ALDH1A1CYP3A4ALOX15HTT | |
| SCHEMBL8069568 | 0.66 | RIPK1 (0.37) | ALDH1A1 | |
| SCHEMBL5872179 | 0.66 | MEN1 (0.37) | — | |
| SCHEMBL8879657 | 0.64 | TYR (0.42) | ALDH1A1 | |
| SCHEMBL5847735 | 0.63 | CYP2C19 (0.42) | IDO1TDO2CYP2C19ALDH1A1CYP3A4 |
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-1075467-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999057101-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 1999-11-11 | — | — | WO | disclosed |