Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.76 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.76 |
| ▸ | EGFR | P00533 | 13/20 | 0.71 |
| ▸ | KDR | P35968 | 10/20 | 0.71 |
| ▸ | SRC | P12931 | 2/20 | 0.71 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | LCK | P06239 | 1/20 | 0.71 |
| ▸ | FYN | P06241 | 1/20 | 0.71 |
| ▸ | RET | P07949 | 1/20 | 0.71 |
| ▸ | MET | P08581 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.71 |
| ▸ | LTK | P29376 | 1/20 | 0.71 |
| ▸ | TTK | P33981 | 1/20 | 0.71 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.71 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.71 |
| ▸ | BTK | Q06187 | 1/20 | 0.71 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.71 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL12694376 | 0.94 | EGFR (0.78) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL12694308 | 0.86 | EGFR (0.72) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL12694312 | 0.85 | EGFR (0.79) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL12694381 | 0.85 | EGFR (0.73) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL12694307 | 0.84 | EGFR (0.93) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL12694385 | 0.84 | EGFR (0.73) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL6704281 | 0.84 | EGFR (0.80) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL597105 | 0.83 | EGFR (1.00) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL29377224 | 0.83 | EGFR (1.00) | AURKAAURKBEGFRKDRSRC | |
| SCHEMBL12694310 | 0.83 | EGFR (0.70) | AURKAAURKBEGFRKDRSRC |
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-2012089137-A1 | ARYLUREA COMPOUND, INTERMEDIATE AND USE THEREOF | 上海医药工业研究院 (CN) | 2012-07-05 | — | — | WO | disclosed |