Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.37 |
| ▸ | GAK | O14976 | 3/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | BUB1 | O43683 | 1/20 | 0.34 |
| ▸ | STK10 | O94804 | 1/20 | 0.34 |
| ▸ | CARS1 | P49589 | 1/20 | 0.34 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.34 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.34 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539895 | 0.81 | EGFR (0.48) | EGFRGAKTDO2ERBB2 | |
| SCHEMBL28546221 | 0.80 | EGFR (0.36) | EGFRGAKRIPK2STK10PIP4K2C | |
| SCHEMBL28540776 | 0.78 | EGFR (0.48) | EGFRGAKTDO2ERBB2MKNK1 | |
| SCHEMBL30213776 | 0.77 | EGFR (0.55) | EGFR | |
| SCHEMBL30213714 | 0.76 | EGFR (0.49) | EGFRGAKRIPK2BUB1STK10 | |
| SCHEMBL30213747 | 0.71 | AIMP2 (0.45) | EGFRGAKTDO2ERBB2IDO1 | |
| SCHEMBL28546121 | 0.71 | AIMP2 (0.45) | EGFRGAKTDO2ERBB2IDO1 | |
| SCHEMBL28546217 | 0.66 | EGFR (0.46) | EGFRTDO2ERBB2 | |
| SCHEMBL15522255 | 0.65 | ROCK1 (0.49) | EGFRGAKTDO2IDO1 | |
| SCHEMBL30213680 | 0.65 | ROCK1 (0.49) | EGFRGAKTDO2IDO1 |
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-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | claimed |
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | disclosed |