Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20834954 | 0.89 | MAP4K4 (0.37) | CYP2A6EGFRKDR | |
| SCHEMBL4970560 | 0.83 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL18667150 | 0.83 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL19343962 | 0.83 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL19344220 | 0.83 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL18571687 | 0.80 | CYP2A6 (0.37) | CYP2A6 | |
| SCHEMBL23584545 | 0.80 | CYP2A6 (0.37) | CYP2A6 | |
| SCHEMBL23960106 | 0.78 | POLRMT (0.41) | — | |
| SCHEMBL23960100 | 0.75 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL26200336 | 0.74 | PDE2A (0.31) | — |
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-2021213288-A1 | ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG | 中国科学院上海药物研究所 (CN) | 2021-10-28 | — | — | WO | disclosed |