Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.70 |
| ▸ | IGF1R | P08069 | 4/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.65 |
| ▸ | INSR | P06213 | 2/20 | 0.65 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.55 |
| ▸ | CDK2 | P24941 | 2/20 | 0.55 |
| ▸ | CDK7 | P50613 | 2/20 | 0.55 |
| ▸ | CDK9 | P50750 | 2/20 | 0.55 |
| ▸ | CCNH | P51946 | 2/20 | 0.55 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.55 |
| ▸ | CCNK | O75909 | 1/20 | 0.54 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.54 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.54 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28942037 | 1.00 | EGFR (0.70) | EGFRIGF1RKCNH2INSRCCNT1 | |
| SCHEMBL28942042 | 0.95 | EGFR (0.69) | EGFRIGF1RKCNH2INSRCCNT1 | |
| SCHEMBL28469195 | 0.95 | EGFR (0.69) | EGFRIGF1RKCNH2INSRCCNT1 | |
| SCHEMBL14719276 | 0.94 | EGFR (0.80) | EGFRIGF1RKCNH2INSRCCNT1 | |
| SCHEMBL28942024 | 0.90 | EGFR (0.87) | EGFRIGF1RKCNH2CCNT1CCNA2 | |
| SCHEMBL28467425 | 0.90 | EGFR (0.87) | EGFRIGF1RKCNH2CCNT1CCNA2 | |
| SCHEMBL14718460 | 0.89 | EGFR (0.79) | EGFRIGF1RKCNH2INSRCCNT1 | |
| SCHEMBL28942052 | 0.88 | EGFR (0.67) | EGFRIGF1RKCNH2INSR | |
| SCHEMBL28467428 | 0.88 | EGFR (0.67) | EGFRIGF1RKCNH2INSR | |
| SCHEMBL28470066 | 0.88 | EGFR (0.70) | 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-108191861-B | N- [5- (pyrimidin-2-amino) -2, 4-disubstituted-phenyl ] -trans-2, 4-pentadiene-amide | 天津大学 | 2020-10-02 | — | — | CN | disclosed |