Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL32677379 | 1.00 | EGFR (0.37) | EGFRCYP17A1PDPK1 | |
| SCHEMBL25398720 | 0.82 | EGFR (0.38) | EGFRCYP17A1PDPK1 | |
| SCHEMBL29559729 | 0.80 | ERN1 (0.41) | EGFRCYP17A1PDPK1 | |
| SCHEMBL3521853 | 0.80 | ERN1 (0.41) | EGFRCYP17A1PDPK1 | |
| SCHEMBL12697499 | 0.72 | — | — | |
| SCHEMBL25403015 | 0.72 | — | — | |
| SCHEMBL16768951 | 0.71 | QPCT (0.39) | EGFR | |
| SCHEMBL9965937 | 0.70 | — | — | |
| SCHEMBL18838245 | 0.70 | CYP17A1 (0.42) | EGFRCYP17A1PDPK1 | |
| SCHEMBL27816752 | 0.69 | NPSR1 (0.39) | — |
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-116745269-A | Dihydroquinazolin-2-one derivatives as selective cytotoxic agents for the treatment of HIV | 默沙东有限责任公司 | 2023-09-12 | — | — | CN | disclosed |