Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.72 |
| ▸ | DHFR | P00374 | 6/20 | 0.61 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.56 |
| ▸ | TDO2 | P48775 | 1/20 | 0.55 |
| ▸ | CLK1 | P49759 | 4/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.55 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4457331 | 1.00 | ADORA2A (0.72) | ADORA2AADORA1DHFRFGFR1TDO2 | |
| SCHEMBL8132445 | 0.88 | FGFR1 (0.76) | ADORA2AADORA1FGFR1TDO2CLK1 | |
| SCHEMBL1388414 | 0.84 | FGFR1 (0.75) | ADORA2AADORA1DHFRFGFR1 | |
| SCHEMBL1389085 | 0.81 | DHFR (0.59) | ADORA2AADORA1DHFR | |
| SCHEMBL29655604 | 0.81 | DHFR (0.59) | ADORA2AADORA1DHFR | |
| SCHEMBL264291 | 0.81 | KMT2A (0.73) | DHFRFGFR1 | |
| SCHEMBL30488020 | 0.81 | KMT2A (0.73) | DHFRFGFR1 | |
| Hydrochloric Acid SCHEMBL6833029 | 0.80 | DHFR (0.56) | ADORA2AADORA1DHFR | |
| SCHEMBL1388276 | 0.80 | ADORA1 (0.70) | ADORA2AADORA1DHFRFGFR1CDK5 | |
| SCHEMBL30488016 | 0.80 | ADORA1 (0.70) | ADORA2AADORA1DHFRFGFR1CDK5 |
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-113061116-B | Aminopyrimidine compound, preparation method, composition and application thereof | 上海医药工业研究院 | 2023-07-25 | — | — | CN | disclosed |