Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 13/20 | 0.76 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | CD38 | P28907 | 1/20 | 0.67 |
| ▸ | BRAF | P15056 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL3001623 | 0.86 | EGFR (1.00) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL5740246 | 0.86 | CNR1 (0.62) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL8373657 | 0.85 | EGFR (0.76) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL30395473 | 0.83 | EGFR (0.71) | EGFRABCG2HTTCD38BRAF | |
| SCHEMBL29058751 | 0.83 | EGFR (0.71) | EGFRABCG2HTTCD38BRAF | |
| SCHEMBL8644631 | 0.82 | EGFR (0.71) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL3320018 | 0.82 | EGFR (0.58) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL1192879 | 0.81 | EGFR (0.70) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL29971755 | 0.81 | EGFR (0.70) | EGFRABCG2TSHRHTTCD38 | |
| SCHEMBL18292535 | 0.81 | RAF1 (0.72) | EGFRHTTBRAFKDR |
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-106986895-A | Quinazoline ditosylate salt Mutiple Targets antitumoral compounds and its preparation method and application | 北京大学 | 2017-07-28 | — | — | CN | disclosed |