Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680567 | 0.84 | CTNNB1 (0.43) | CTNNB1CYP1A2CYP2C19CYP2C9TACR1 | |
| SCHEMBL6684264 | 0.83 | CTNNB1 (0.45) | CTNNB1CYP1A2CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL6681399 | 0.81 | CTNNB1 (0.44) | CTNNB1CYP1A2CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL6685436 | 0.81 | CTNNB1 (0.44) | CTNNB1CYP1A2CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL6680543 | 0.80 | CTNNB1 (0.45) | CTNNB1CYP1A2CYP2C19CYP2C9TACR1 | |
| SCHEMBL28762861 | 0.78 | KDM4E (0.41) | CTNNB1CYP1A2CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL9252340 | 0.77 | CYP1A2 (0.52) | CTNNB1CYP1A2CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL6684873 | 0.76 | CTNNB1 (0.47) | CTNNB1CYP1A2CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL2581115 | 0.73 | EPHX1 (0.39) | CYP1A2SIGMAR1SLC6A4 | |
| SCHEMBL7394253 | 0.72 | CTNNB1 (0.54) | CTNNB1CYP1A2CYP2C19CYP2C9CYP2D6 |
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-119100962-A | Se-deuterated methylation or Se-13Application of C methylation reagent | 浙江工业大学 | 2024-12-10 | — | — | CN | disclosed |