Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5773723 | 0.89 | MAPK14 (0.41) | MAPK14CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL5773732 | 0.85 | KDM4E (0.38) | MAPK14CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL5774512 | 0.84 | ALDH1A1 (0.40) | MAPK14GAAKDM4EALDH1A1HPGD | |
| SCHEMBL5770827 | 0.84 | TP53 (0.48) | MAPK14CYP3A4GAAALDH1A1CYP1A2 | |
| SCHEMBL5770367 | 0.80 | MAPK14 (0.41) | MAPK14CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL5768943 | 0.80 | ALDH1A1 (0.47) | MAPK14GAAKDM4EALDH1A1TP53 | |
| SCHEMBL5774393 | 0.78 | MAPK14 (0.38) | MAPK14CYP3A4 | |
| SCHEMBL5767550 | 0.77 | MAPK14 (0.38) | MAPK14CYP3A4 | |
| SCHEMBL5769574 | 0.77 | PI4KB (0.36) | MAPK14CYP3A4 | |
| SCHEMBL18058953 | 0.74 | THRB (0.50) | MAPK14CYP3A4GAAKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1554272-B1 | BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE | LILLY CO ELI (US) | 2006-10-25 | — | — | EP | disclosed |