Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31033309 | 0.79 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL15479076 | 0.77 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL343453 | 0.73 | CYP3A4 (0.46) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL3342055 | 0.73 | TP53 (0.46) | — | |
| SCHEMBL19586648 | 0.73 | LPAR3 (0.46) | — | |
| SCHEMBL5331935 | 0.73 | BTN3A1 (0.36) | TSHR | |
| SCHEMBL575318 | 0.72 | CYP3A4 (0.52) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL15479080 | 0.71 | CYP3A4 (0.42) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL7634769 | 0.70 | CYP3A4 (0.39) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL19857452 | 0.70 | CYP3A4 (0.39) | CYP3A4ALDH1A1TSHR |
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-113272302-B | Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof | 德彪药业国际股份公司 | 2024-08-13 | — | — | CN | disclosed |