Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | EGFR | P00533 | 13/20 | 0.54 |
| ▸ | ABL1 | P00519 | 2/20 | 0.54 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
| ▸ | PRKACA | P17612 | 1/20 | 0.54 |
| ▸ | LTK | P29376 | 1/20 | 0.54 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.54 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.54 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.54 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.54 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.54 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.54 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693021 | 0.80 | ADORA3 (0.60) | PIM1LIMK1PIM3AURKBCLK4 | |
| SCHEMBL15653740 | 0.74 | EGFR (0.54) | MAPK1EGFRABL1DAPK3MAP4K4 | |
| SCHEMBL7535445 | 0.73 | EGFR (0.68) | MAPK1EGFRABL1DAPK3MAP4K4 | |
| SCHEMBL1406620 | 0.72 | MAPK1 (1.00) | MAPK1EGFRABL1DAPK3MAP4K4 | |
| SCHEMBL6639884 | 0.72 | GRM1 (0.43) | — | |
| SCHEMBL14036131 | 0.71 | PDPK1 (0.36) | — | |
| SCHEMBL29941271 | 0.70 | EGFR (1.00) | MAPK1EGFRABL1DAPK3MAP4K4 | |
| SCHEMBL8920 | 0.70 | EGFR (1.00) | MAPK1EGFRABL1DAPK3MAP4K4 | |
| SCHEMBL4690818 | 0.70 | ADORA3 (0.48) | MAPK1EGFRROCK1KDRRET | |
| SCHEMBL13369826 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010076764-A1 | IRREVERSIBLE EGFR INHIBITOR COMPOUNDS WITH ANTIPROLIFERATIVE ACTIVITY | UNIVERSITA' DEGLI STUDI DI PARMA (IT) | 2010-07-08 | — | — | WO | disclosed |