Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 10/20 | 0.57 |
| ▸ | KDR | P35968 | 5/20 | 0.57 |
| ▸ | EGFR | P00533 | 6/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21246955 | 0.88 | RET (0.64) | RETKDR | |
| SCHEMBL21262899 | 0.88 | KDR (0.59) | RETKDREGFR | |
| SCHEMBL23749550 | 0.86 | RET (0.50) | RETKDR | |
| SCHEMBL23749389 | 0.86 | RET (0.58) | RETKDREGFR | |
| SCHEMBL23749436 | 0.85 | RET (0.53) | RETKDREGFR | |
| SCHEMBL22769707 | 0.85 | MET (0.51) | RETKDREGFR | |
| SCHEMBL21246991 | 0.81 | RET (0.62) | RETKDREGFR | |
| SCHEMBL21792996 | 0.78 | RET (0.64) | RETKDR | |
| SCHEMBL23749314 | 0.77 | RET (0.41) | RETKDR | |
| SCHEMBL23749439 | 0.75 | KDR (0.55) | RETKDREGFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020042972-A1 | UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE AND QUINAZOLINE OR QUINOLINE COMPOUND, COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-03-05 | — | — | WO | disclosed |