Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30620478 | 0.82 | ACHE (0.36) | ACHEALDH1A1BRD4 | |
| SCHEMBL30620489 | 0.77 | ACHE (0.39) | CYP1A2CYP3A4CYP2C19ACHEALDH1A1 | |
| SCHEMBL30620499 | 0.76 | MAP2 (0.35) | ACHEALDH1A1 | |
| SCHEMBL30620492 | 0.76 | MAP2 (0.33) | CYP1A2ACHEALDH1A1BRD4 | |
| SCHEMBL30620479 | 0.73 | GSK3B (0.40) | ACHEALDH1A1 | |
| SCHEMBL30620484 | 0.73 | ALDH1A1 (0.41) | ALDH1A1BRD4 | |
| SCHEMBL30620486 | 0.73 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL30620491 | 0.71 | PTGS2 (0.36) | ALDH1A1 | |
| SCHEMBL30620498 | 0.71 | ALDH1A1 (0.37) | CYP1A2ALDH1A1BRD4 | |
| SCHEMBL30620494 | 0.71 | ACHE (0.34) | ACHEALDH1A1 |
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 |