Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.46 |
| ▸ | HTR6 | P50406 | 8/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30725471 | 1.00 | EGFR (0.46) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL30725427 | 0.93 | EGFR (0.47) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL29174671 | 0.93 | EGFR (0.47) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL30725502 | 0.88 | EGFR (0.44) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL29174678 | 0.88 | EGFR (0.44) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL29174687 | 0.88 | EGFR (0.45) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL30725415 | 0.88 | EGFR (0.45) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL29174704 | 0.87 | EGFR (0.45) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL30725519 | 0.87 | EGFR (0.45) | EGFRHTR6DRD2HTR2AHTR7 | |
| SCHEMBL29174622 | 0.87 | EGFR (0.45) | EGFRHTR6DRD2HTR2AHTR7 |
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-117430589-A | 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof | 励缔(杭州)医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |