Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.54 |
| ▸ | AXL | P30530 | 4/20 | 0.48 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.44 |
| ▸ | CSF1R | P07333 | 2/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ERBB4 | Q15303 | 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 | |
|---|---|---|---|---|
| SCHEMBL28540768 | 1.00 | EGFR (0.54) | EGFRAXLMAP3K8AURKAAURKB | |
| SCHEMBL30213765 | 0.89 | EGFR (0.54) | EGFRAXLMAP3K8ERBB2ERBB4 | |
| SCHEMBL30213670 | 0.84 | EGFR (0.54) | EGFRAXLMAP3K8AURKBERBB2 | |
| SCHEMBL28539872 | 0.82 | ERBB2 (0.59) | EGFRERBB2 | |
| SCHEMBL28539842 | 0.81 | AXL (0.48) | EGFRAXLMAP3K8AURKAAURKB | |
| SCHEMBL28537354 | 0.81 | EGFR (0.63) | EGFRERBB2ERBB4 | |
| SCHEMBL28549538 | 0.79 | EGFR (0.50) | EGFRAIMP2ERBB2NTRK1ERBB4 | |
| SCHEMBL3191157 | 0.78 | BRD4 (0.58) | EGFRAXLERBB2CSF1RNTRK1 | |
| SCHEMBL28546121 | 0.77 | AIMP2 (0.45) | EGFRAIMP2ERBB2NTRK1 | |
| SCHEMBL30213747 | 0.77 | AIMP2 (0.45) | EGFRAIMP2ERBB2NTRK1 |
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 |