Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.43 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | EEF2K | O00418 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | PRKX | P51817 | 1/20 | 0.43 |
| ▸ | NEK4 | P51957 | 1/20 | 0.43 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12035627 | 0.82 | ROCK2 (0.46) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL2977108 | 0.82 | EGFR (0.45) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL18344998 | 0.81 | CA12 (0.43) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL28048800 | 0.81 | CHEK1 (0.42) | TAOK1CLK4CHEK1AURKADAPK3 | |
| SCHEMBL13539429 | 0.80 | SLC22A12 (0.52) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL31414297 | 0.80 | ROCK2 (0.49) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL20139305 | 0.80 | ROCK2 (0.49) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL13165280 | 0.79 | ROCK2 (0.46) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL2481963 | 0.79 | EGFR (0.48) | EGFRITKROCK2ROCK1CHEK2 | |
| SCHEMBL625971 | 0.79 | TAOK1 (0.65) | EGFRITKROCK2ROCK1CHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100558428-C | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | CN | disclosed |
| CN-1917921-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | CN | disclosed |