Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28760093 | 0.84 | CETP (0.37) | PIK3CDCETP | |
| SCHEMBL28760119 | 0.83 | SCD5 (0.40) | PIK3CDSCD5 | |
| SCHEMBL28760109 | 0.79 | PIK3CD (0.37) | PIK3CD | |
| SCHEMBL28760120 | 0.78 | PIK3CD (0.62) | PIK3CDAR | |
| SCHEMBL28760121 | 0.74 | HCRTR2 (0.52) | — | |
| SCHEMBL28760090 | 0.70 | IDH1 (0.41) | PIK3CD | |
| SCHEMBL6948748 | 0.68 | GLS (0.42) | SCD5 | |
| SCHEMBL8805649 | 0.65 | GLS (0.40) | SCD5AR | |
| SCHEMBL14828691 | 0.64 | PIK3CD (0.54) | PIK3CD | |
| SCHEMBL579740 | 0.62 | AVPR1A (0.45) | — |
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-114478422-B | Intermediate of pregabalin and preparation method thereof | 上海医药工业研究院 | 2024-03-22 | — | — | CN | disclosed |
| CN-114478422-A | Pregabalin intermediate and preparation method thereof | 上海医药工业研究院 | 2022-05-13 | — | — | CN | disclosed |