Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.58 |
| ▸ | IGF1R | P08069 | 8/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.58 |
| ▸ | CDK2 | P24941 | 2/20 | 0.55 |
| ▸ | INSR | P06213 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17553626 | 1.00 | EGFR (0.58) | EGFRIGF1RKCNH2CDK2INSR | |
| SCHEMBL28134349 | 0.88 | EGFR (0.59) | EGFRIGF1RKCNH2CDK2INSR | |
| SCHEMBL28134348 | 0.88 | EGFR (0.59) | EGFRIGF1RKCNH2CDK2INSR | |
| SCHEMBL28133428 | 0.87 | EGFR (0.51) | EGFRIGF1RKCNH2INSR | |
| SCHEMBL17553749 | 0.87 | EGFR (0.51) | EGFRIGF1RKCNH2INSR | |
| SCHEMBL28133429 | 0.87 | EGFR (0.51) | EGFRIGF1RKCNH2INSR | |
| SCHEMBL14663277 | 0.85 | EGFR (0.71) | EGFRIGF1RKCNH2CDK2INSR | |
| SCHEMBL17384830 | 0.85 | EGFR (0.72) | EGFRIGF1RKCNH2CDK2INSR | |
| SCHEMBL17553475 | 0.84 | EGFR (0.76) | EGFRIGF1RKCNH2INSR | |
| SCHEMBL28134324 | 0.84 | EGFR (0.76) | EGFRIGF1RKCNH2INSR |
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-106458969-A | (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2017-02-22 | — | — | CN | disclosed |