Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.35 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | CLK2 | P49760 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | PRKX | P51817 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4637798 | 0.94 | ALDH1A1 (0.39) | ALDH1A1GAAGRM2POLBADORA3 | |
| SCHEMBL4638500 | 0.89 | POLB (0.41) | ALDH1A1GAAGRM2POLBADORA3 | |
| SCHEMBL4639384 | 0.86 | GRM2 (0.37) | CDC7ALDH1A1GAAGRM2POLB | |
| SCHEMBL4638930 | 0.84 | ALDH1A1 (0.38) | ALDH1A1GAAGRM2POLBADORA3 | |
| SCHEMBL4639416 | 0.84 | GRM2 (0.39) | ALDH1A1GAAGRM2POLBADORA3 | |
| SCHEMBL4638482 | 0.80 | ALDH1A1 (0.44) | CDC7ALDH1A1GAAGRM2POLB | |
| SCHEMBL4638086 | 0.78 | TACR1 (0.39) | ALDH1A1GAAGRM2POLBTSHR | |
| SCHEMBL4638478 | 0.74 | ADORA3 (0.41) | CDC7ALDH1A1GAAIDO1TDO2 | |
| SCHEMBL4637719 | 0.74 | GRM2 (0.39) | ALDH1A1GAAGRM2POLBADORA3 | |
| SCHEMBL4637826 | 0.73 | ALDH1A1 (0.47) | ALDH1A1GAAGRM2POLBADORA3 |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |