Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.67 |
| ▸ | PARP1 | P09874 | 1/20 | 0.63 |
| ▸ | HPGDS | O60760 | 1/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 2/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15547657 | 1.00 | CHEK2 (0.67) | CHEK2PARP1HPGDSTAAR1ESR2 | |
| SCHEMBL4159476 | 0.87 | PARP1 (0.78) | CHEK2PARP1HPGDSTAAR1ESR2 | |
| SCHEMBL22367342 | 0.84 | MKNK1 (0.64) | CHEK2PARP1MKNK1MKNK2PARP10 | |
| SCHEMBL30189289 | 0.83 | BCL2L1 (0.64) | TAAR1ESR2 | |
| SCHEMBL505269 | 0.83 | BCL2L1 (0.64) | TAAR1ESR2 | |
| SCHEMBL2589651 | 0.82 | ERN1 (0.60) | PARP1MKNK1MKNK2PARP10DHODH | |
| SCHEMBL11134357 | 0.81 | MAPT (0.62) | CHEK2HPGDSTAAR1ESR2MAOB | |
| SCHEMBL14153043 | 0.81 | ESR2 (0.58) | CHEK2PARP1HPGDSTAAR1ESR2 | |
| SCHEMBL1926791 | 0.81 | PARP1 (0.63) | CHEK2PARP1HPGDSDPP4DHODH | |
| SCHEMBL4620478 | 0.81 | CHEK2 (1.00) | CHEK2FYNMKNK1MAP4K4 |
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-115872947-B | Benzisothiazole benzamide compound or pharmaceutically acceptable salt thereof, preparation method and application | 中国药科大学 | 2024-04-19 | — | — | CN | disclosed |