Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17372396 | 0.74 | LMNA (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20117 | 0.71 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16682265 | 0.70 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL763254 | 0.69 | MAP3K5 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3002841 | 0.68 | LMNA (0.46) | — | |
| SCHEMBL18464406 | 0.68 | TSHR (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28117129 | 0.67 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL258582 | 0.67 | MAP3K5 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL639897 | 0.67 | HSP90AB1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28960558 | 0.66 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19 |
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-114994342-A | System and method for multivariate analysis | 赛拉诺斯知识产权有限责任公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-105378450-B | System and method for multivariate analysis | 赛拉诺斯知识产权有限责任公司 | 2022-06-07 | — | — | CN | disclosed |