Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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) | ALDH1A1MAPTMAPK14KDM4EGAA | |
| SCHEMBL5773725 | 0.84 | MAPK14 (0.42) | ALDH1A1MAPTMAPK14KDM4ECDK2 | |
| SCHEMBL5768943 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTMAPK14KDM4EGAA | |
| SCHEMBL5774393 | 0.81 | MAPK14 (0.38) | MAPK14PI4KB | |
| SCHEMBL5770827 | 0.81 | TP53 (0.48) | ALDH1A1MAPTMAPK14GAAPI4KB | |
| SCHEMBL5767550 | 0.80 | MAPK14 (0.38) | MAPK14PI4KBS1PR1 | |
| SCHEMBL5769574 | 0.80 | PI4KB (0.36) | MAPK14PI4KB | |
| SCHEMBL18058953 | 0.75 | THRB (0.50) | ALDH1A1MAPTMAPK14KDM4EGAA | |
| SCHEMBL18057139 | 0.75 | MAPK14 (0.44) | ALDH1A1MAPTMAPK14GAATSHR | |
| SCHEMBL5773665 | 0.74 | PI4KB (0.54) | MAPK14PI4KBMAPK1 |
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 |