Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 4/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.36 |
| ▸ | ATR | Q13535 | 5/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL2215449 | 0.79 | CYP4F2 (0.47) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL3041585 | 0.70 | CYP4F2 (0.40) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL29525553 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL1649419 | 0.64 | CYP4F2 (0.41) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL30739025 | 0.64 | CYP4F2 (0.44) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL2839522 | 0.64 | CYP4F2 (0.42) | CYP4F2CYP4A11ATR | |
| SCHEMBL20516829 | 0.63 | CYP4F2 (0.40) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL8004755 | 0.62 | CYP4F2 (0.53) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL21185040 | 0.62 | CYP4F2 (0.47) | CYP4F2CYP4A11ATRRXRARXRB | |
| SCHEMBL3037205 | 0.61 | CYP4F2 (0.42) | CYP4F2CYP4A11ATRRXRARXRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116865-A1 | PYRAZOLE-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 优领医药科技（上海）有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2022247919-A1 | COMPOUND USED AS BCR-ABL INHIBITOR | 正大天晴药业集团股份有限公司 | 2022-12-01 | — | — | WO | disclosed |