Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.32 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.32 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29101897 | 0.86 | DHODH (0.37) | KIF11BACE1GLO1TACR1AR | |
| SCHEMBL30620489 | 0.85 | ACHE (0.39) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL30620479 | 0.85 | GSK3B (0.40) | GAAMAPT | |
| SCHEMBL30620478 | 0.84 | ACHE (0.36) | GAAMAPT | |
| SCHEMBL30620498 | 0.82 | ALDH1A1 (0.37) | CYP1A2GAAMAPT | |
| SCHEMBL30620491 | 0.82 | PTGS2 (0.36) | MAPT | |
| SCHEMBL30620485 | 0.80 | ACHE (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL30620490 | 0.78 | MEN1 (0.41) | SLC11A2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30620487 | 0.77 | KIF11 (0.32) | KIF11 | |
| SCHEMBL30620484 | 0.76 | ALDH1A1 (0.41) | MAPT |
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-116789598-A | 3-alkenyl isoquinoline 2-oxide compound and preparation method thereof | 广州大学 | 2023-09-22 | — | — | CN | disclosed |