Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 18/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.54 |
| ▸ | KDR | P35968 | 3/20 | 0.54 |
| ▸ | KIT | P10721 | 3/20 | 0.54 |
| ▸ | SRC | P12931 | 3/20 | 0.54 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.54 |
| ▸ | ERBB4 | Q15303 | 3/20 | 0.54 |
| ▸ | BRAF | P15056 | 2/20 | 0.54 |
| ▸ | CIT | O14578 | 2/20 | 0.54 |
| ▸ | GAK | O14976 | 2/20 | 0.54 |
| ▸ | EPHB6 | O15197 | 2/20 | 0.54 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.54 |
| ▸ | STK17B | O94768 | 2/20 | 0.54 |
| ▸ | STK10 | O94804 | 2/20 | 0.54 |
| ▸ | ABL1 | P00519 | 2/20 | 0.54 |
| ▸ | LCK | P06239 | 2/20 | 0.54 |
| ▸ | LYN | P07948 | 2/20 | 0.54 |
| ▸ | RET | P07949 | 2/20 | 0.54 |
| ▸ | MET | P08581 | 2/20 | 0.54 |
| ▸ | HCK | P08631 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30213765 | 0.95 | EGFR (0.54) | EGFRERBB2KDRKITSRC | |
| SCHEMBL28540768 | 0.84 | EGFR (0.54) | EGFRERBB2ERBB4AXLMAP3K8 | |
| SCHEMBL30213684 | 0.84 | EGFR (0.54) | EGFRERBB2ERBB4AXLMAP3K8 | |
| SCHEMBL30213666 | 0.83 | EGFR (0.66) | EGFRERBB2 | |
| SCHEMBL30213751 | 0.83 | EGFR (0.49) | EGFRERBB2KDRKITSRC | |
| SCHEMBL30213800 | 0.81 | EGFR (0.63) | EGFRERBB2KCNH2JAK3BTK | |
| SCHEMBL30213858 | 0.80 | EGFR (0.49) | EGFRERBB2KDRKITSRC | |
| SCHEMBL30213672 | 0.80 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4SLC6A3 | |
| SCHEMBL29882073 | 0.78 | EGFR (0.70) | EGFRERBB2KDRKITSRC | |
| SCHEMBL8805450 | 0.78 | ABL1 (0.65) | EGFRERBB2KDRKITSRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574177-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |