Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 9/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL29174630 | 0.89 | CCNC (0.44) | EGFRHTR6CDK1KDR | |
| SCHEMBL29174680 | 0.86 | EGFR (0.48) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL16665592 | 0.81 | EGFR (0.51) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL29613438 | 0.81 | EGFR (0.51) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL19054622 | 0.81 | HTR6 (0.53) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL29174609 | 0.80 | EGFR (0.48) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL27223018 | 0.79 | EGFR (0.48) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL29613470 | 0.79 | EGFR (0.48) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL16655389 | 0.78 | EGFR (0.48) | EGFRCA12CA9HTR6DRD2 | |
| SCHEMBL29429815 | 0.78 | HTR6 (0.56) | CA12CA9HTR6DRD2HTR2A |
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 |