Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 17/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 14/20 | 0.48 |
| ▸ | ERBB4 | Q15303 | 14/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 2/20 | 0.45 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | LYN | P07948 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | CSK | P41240 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | MAP2K5 | Q13163 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544852 | 0.95 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4NTRK1 | |
| SCHEMBL30213773 | 0.92 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL30213815 | 0.87 | EGFR (0.50) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL28549538 | 0.85 | EGFR (0.50) | EGFRERBB2ERBB3ERBB4NTRK1 | |
| SCHEMBL28910581 | 0.80 | ERBB2 (0.58) | EGFRERBB2 | |
| SCHEMBL28551800 | 0.79 | EGFR (0.57) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213672 | 0.79 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4NTRK1 | |
| SCHEMBL28547009 | 0.79 | EGFR (0.42) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213768 | 0.76 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL28539842 | 0.74 | AXL (0.48) | EGFRERBB2ERBB4NTRK1AURKB |
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 |