Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564365 | 0.76 | NQO1 (0.37) | PTGS2NQO1 | |
| SCHEMBL30564413 | 0.72 | PTGS2 (0.44) | PTGS2NQO1 | |
| SCHEMBL30564426 | 0.67 | ELANE (0.30) | — | |
| SCHEMBL9261585 | 0.67 | PTGS2 (0.55) | PTGS2NQO1 | |
| SCHEMBL9260974 | 0.66 | SLC2A1 (0.50) | PTGS2 | |
| SCHEMBL9260967 | 0.66 | SLC2A1 (0.50) | PTGS2 | |
| SCHEMBL9262871 | 0.66 | PTGS2 (0.39) | PTGS2NQO1 | |
| SCHEMBL9262860 | 0.66 | PTGS2 (0.39) | PTGS2NQO1 | |
| SCHEMBL30564359 | 0.65 | GAA (0.31) | — | |
| SCHEMBL30564472 | 0.65 | — | — |
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-116715658-A | Benzocyclic ketone derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-08 | — | — | CN | disclosed |