Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.46 |
| ▸ | KDR | P35968 | 6/20 | 0.46 |
| ▸ | GSK3A | P49840 | 6/20 | 0.46 |
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | FLT3 | P36888 | 5/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 5/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.46 |
| ▸ | PIM1 | P11309 | 3/20 | 0.46 |
| ▸ | MARK3 | P27448 | 3/20 | 0.46 |
| ▸ | STK3 | Q13188 | 3/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.46 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.46 |
| ▸ | LCK | P06239 | 2/20 | 0.46 |
| ▸ | FYN | P06241 | 2/20 | 0.46 |
| ▸ | LYN | P07948 | 2/20 | 0.46 |
| ▸ | BLK | P51451 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.46 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL276108 | 0.91 | KDR (0.46) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL276290 | 0.89 | FLT3 (0.45) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL327948 | 0.86 | KDR (0.44) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL59784 | 0.84 | AURKB (0.40) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL275501 | 0.82 | AURKB (0.44) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL5148169 | 0.79 | FGFR1 (0.43) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL59064 | 0.77 | AXL (0.40) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL3603779 | 0.77 | AURKA (0.43) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL3620536 | 0.76 | AURKB (0.39) | AURKAKDRGSK3AGSK3BFLT3 | |
| SCHEMBL58728 | 0.76 | ACVRL1 (0.44) | AURKAKDRGSK3AGSK3BFLT3 |
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-1957077-B1 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | BAYER HEALTHCARE LLC (US) | 2014-01-22 | — | — | EP | disclosed |