Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2989442 | 0.81 | ALDH1A1 (0.33) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL2999568 | 0.81 | ALDH1A1 (0.33) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL3360230 | 0.81 | TRPA1 (0.37) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL23914125 | 0.78 | TRPA1 (0.38) | — | |
| SCHEMBL29254016 | 0.77 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL13210368 | 0.77 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL10539893 | 0.77 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL23845629 | 0.77 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL5357555 | 0.77 | GBA1 (0.33) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL2959558 | 0.77 | GBA1 (0.33) | CYP1A2CYP2D6ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117510500-A | Preparation method of asperazepanones alkaloid and application of asperazepanones alkaloid as anti-inflammatory drug | 中国海洋大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-116726010-A | Application of macrolide derivative in preparation of medicines for inhibiting pro-inflammatory cytokine acting agents | 中国海洋大学 | 2023-09-12 | — | — | CN | disclosed |
| CN-112851622-B | Macrolide brefeldin A ester derivative and application thereof | 中国海洋大学 | 2023-01-10 | — | — | CN | disclosed |
| CN-112851622-A | Macrolide brefeldin A ester derivative and application thereof | 中国海洋大学 | 2021-05-28 | — | — | CN | disclosed |