Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AXL | P30530 | 4/20 | 0.48 |
| ▸ | EGFR | P00533 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.42 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 2/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30213858 | 0.89 | EGFR (0.49) | AXLEGFRMAP3K8ERBB2ERBB4 | |
| SCHEMBL30213751 | 0.83 | EGFR (0.49) | AXLEGFRMAP3K8ERBB2ERBB4 | |
| SCHEMBL28546212 | 0.82 | EGFR (0.56) | EGFRERBB2 | |
| SCHEMBL28540768 | 0.81 | EGFR (0.54) | AXLEGFRRAB9AMAP3K8AURKA | |
| SCHEMBL30213684 | 0.81 | EGFR (0.54) | AXLEGFRRAB9AMAP3K8AURKA | |
| SCHEMBL28911198 | 0.80 | EGFR (0.55) | EGFRERBB2ERBB4 | |
| SCHEMBL28544852 | 0.79 | EGFR (0.49) | EGFRAURKBERBB2ERBB4NTRK1 | |
| SCHEMBL28549641 | 0.77 | EGFR (0.41) | EGFRERBB2JAK3KDR | |
| SCHEMBL28910581 | 0.77 | ERBB2 (0.58) | EGFRERBB2 | |
| SCHEMBL3191157 | 0.74 | BRD4 (0.58) | AXLEGFRERBB2ERBB4BRD4 |
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 |