Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.35 |
| ▸ | STK17B | O94768 | 2/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.34 |
| ▸ | CIT | O14578 | 1/20 | 0.33 |
| ▸ | GAK | O14976 | 1/20 | 0.33 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.33 |
| ▸ | STK10 | O94804 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28546222 | 0.80 | EPHA2 (0.39) | MAPKAPK2CDK2KDREPHB4 | |
| SCHEMBL28539892 | 0.80 | EGFR (0.37) | EGFRTDO2GAKRIPK2STK10 | |
| SCHEMBL28547006 | 0.78 | EPHA2 (0.39) | MAPKAPK2CDK2KDREPHB4 | |
| SCHEMBL30213670 | 0.77 | EGFR (0.54) | EGFRSTK17BSTK17AAURKBMAP3K8 | |
| SCHEMBL28696325 | 0.76 | EGFR (0.60) | EGFRSTK17BSTK17ACITGAK | |
| SCHEMBL30213765 | 0.76 | EGFR (0.54) | EGFRSTK17BSTK17ATDO2MAP3K8 | |
| SCHEMBL28540768 | 0.71 | EGFR (0.54) | EGFRAURKAAURKBMAP3K8ERBB2 | |
| SCHEMBL30213684 | 0.71 | EGFR (0.54) | EGFRAURKAAURKBMAP3K8ERBB2 | |
| SCHEMBL4787463 | 0.68 | EGFR (0.70) | EGFRSTK17BSTK17AAURKBCIT | |
| SCHEMBL3998438 | 0.66 | IDO1 (0.43) | TDO2 |
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 |