Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 6/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28546217 | 0.95 | EGFR (0.46) | EGFRERBB2KDRTDO2BRAF | |
| SCHEMBL28540776 | 0.83 | EGFR (0.48) | EGFRERBB2KDRTDO2CHEK1 | |
| SCHEMBL28539895 | 0.82 | EGFR (0.48) | EGFRERBB2KDRTDO2CHEK1 | |
| SCHEMBL28543192 | 0.80 | KDR (0.39) | KDRBRAF | |
| SCHEMBL30213605 | 0.75 | EGFR (0.45) | EGFRKDRTDO2BRAFCSNK2A1 | |
| SCHEMBL28551776 | 0.75 | ERBB2 (0.42) | EGFRERBB2KDRKCNH2 | |
| SCHEMBL28539873 | 0.75 | EGFR (0.55) | EGFRERBB2 | |
| SCHEMBL28544401 | 0.75 | KDR (0.38) | KDRBRAF | |
| SCHEMBL30213753 | 0.74 | EGFR (0.47) | EGFRKDRTDO2BRAFCSNK2A1 | |
| SCHEMBL28549641 | 0.72 | EGFR (0.41) | EGFRERBB2KDRTDO2KCNH2 |
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 |