Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550332 | 0.86 | CHRM2 (0.44) | CHRM2CHRM4CHRM3CYP3A4MAPT | |
| SCHEMBL1531109 | 0.84 | — | — | |
| SCHEMBL12491987 | 0.81 | CHRNB2 (0.43) | CHRM2CHRM4CHRM3CYP3A4SLC6A4 | |
| SCHEMBL16672190 | 0.81 | CHRNB2 (0.43) | CHRM2CHRM4CHRM3CYP3A4SLC6A4 | |
| SCHEMBL15681317 | 0.81 | CHRM2 (0.41) | CHRM2CHRM4CHRM3CYP3A4MAPT | |
| SCHEMBL16617585 | 0.81 | CHRM2 (0.41) | CHRM2CHRM4CHRM3CYP3A4MAPT | |
| SCHEMBL2158225 | 0.81 | TRPA1 (0.41) | CHRM2CHRM4CHRM3SLC6A4 | |
| SCHEMBL17440233 | 0.79 | CHRM2 (0.40) | CHRM2CHRM4CHRM3CYP3A4MAPT | |
| SCHEMBL22819216 | 0.79 | CHRM2 (0.43) | CHRM2CHRM4CHRM3CYP3A4MAPT | |
| SCHEMBL17440308 | 0.79 | CHRM2 (0.40) | CHRM2CHRM4CHRM3CYP3A4MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112028755-B | Method for preparing 1,3 cyclohexanedione | 山东亘元生物科技有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-112028755-A | Method for preparing 1,3 cyclohexanedione | 青岛科技大学 | 2020-12-04 | — | — | CN | disclosed |