Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 15/20 | 0.50 |
| ▸ | ERBB3 | P21860 | 12/20 | 0.50 |
| ▸ | ERBB4 | Q15303 | 12/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30213768 | 0.91 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL30213672 | 0.88 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4NTRK1 | |
| SCHEMBL28544852 | 0.86 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4NTRK1 | |
| SCHEMBL28539471 | 0.85 | EGFR (0.48) | EGFRERBB2ERBB3ERBB4NTRK1 | |
| SCHEMBL30213684 | 0.79 | EGFR (0.54) | EGFRERBB2ERBB4NTRK1AIMP2 | |
| SCHEMBL28540768 | 0.79 | EGFR (0.54) | EGFRERBB2ERBB4NTRK1AIMP2 | |
| SCHEMBL28539872 | 0.79 | ERBB2 (0.59) | EGFRERBB2 | |
| SCHEMBL28537354 | 0.78 | EGFR (0.63) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213815 | 0.78 | EGFR (0.50) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL28552919 | 0.77 | EGFR (0.43) | EGFRERBB2ERBB3ERBB4 |
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 3 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-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | disclosed |