Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30578651 | 1.00 | CYP3A4 (0.31) | CYP3A4ALDH1A1GABRA1GABRB1 | |
| SCHEMBL30679386 | 0.68 | GABRA1 (0.32) | CYP3A4GABRA1GABRB1 | |
| SCHEMBL17714358 | 0.68 | P2RX3 (0.31) | CYP3A4GABRA1GABRB1 | |
| SCHEMBL24869040 | 0.68 | GABRA1 (0.32) | CYP3A4GABRA1GABRB1 | |
| SCHEMBL30578650 | 0.66 | NPBWR1 (0.38) | — | |
| SCHEMBL23828950 | 0.65 | THRB (0.34) | — | |
| SCHEMBL38650588 | 0.65 | NPBWR1 (0.37) | CYP3A4ALDH1A1 | |
| SCHEMBL620574 | 0.64 | CYP3A4 (0.52) | CYP3A4ALDH1A1GABRA1GABRB1 | |
| SCHEMBL29082661 | 0.64 | THRB (0.43) | — | |
| SCHEMBL31547846 | 0.64 | ALDH1A1 (0.32) | CYP3A4ALDH1A1 |
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-117964557-A | Preparation method of rosuvastatin intermediate | 重庆药友制药有限责任公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-116768802-A | Synthesis method of rismiterol | 杭州科巢生物科技有限公司 | 2023-09-19 | — | — | CN | disclosed |