Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.63 |
| ▸ | KDR | P35968 | 2/20 | 0.60 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.60 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.60 |
| ▸ | BRAF | P15056 | 2/20 | 0.58 |
| ▸ | CIT | O14578 | 1/20 | 0.58 |
| ▸ | GAK | O14976 | 1/20 | 0.58 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.58 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.58 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.58 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.58 |
| ▸ | STK17B | O94768 | 1/20 | 0.58 |
| ▸ | STK10 | O94804 | 1/20 | 0.58 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.58 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1446177 | 0.92 | EGFR (0.68) | EGFRERBB2KDREPHB4BRAF | |
| SCHEMBL185479 | 0.92 | EGFR (0.74) | EGFRERBB2KDREPHB4EPHA2 | |
| SCHEMBL29623589 | 0.92 | EGFR (0.74) | EGFRERBB2KDREPHB4EPHA2 | |
| SCHEMBL29623541 | 0.92 | EGFR (0.66) | EGFRERBB2KDREPHB4BRAF | |
| SCHEMBL175261 | 0.92 | EGFR (0.66) | EGFRERBB2KDREPHB4BRAF | |
| SCHEMBL2762294 | 0.90 | EGFR (0.67) | EGFRERBB2KDREPHB4EPHA2 | |
| SCHEMBL1446518 | 0.89 | EGFR (0.70) | EGFRERBB2KDREPHB4EPHA2 | |
| SCHEMBL10285951 | 0.89 | EGFR (0.71) | EGFRERBB2KDREPHB4EPHA2 | |
| SCHEMBL28572975 | 0.86 | EGFR (0.64) | EGFRERBB2 | |
| SCHEMBL1447161 | 0.85 | EGFR (0.78) | EGFRERBB2KDREPHB4EPHA2 |
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-108026080-B | Pyrazolyl-substituted heteroaryl compounds and their use as medicaments | 勃林格殷格翰国际有限公司 | 2021-06-11 | — | — | CN | disclosed |