Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 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 | |
|---|---|---|---|---|
| SCHEMBL28760121 | 0.85 | HCRTR2 (0.52) | HCRTR1HCRTR2 | |
| SCHEMBL28760119 | 0.82 | SCD5 (0.40) | PIK3CD | |
| SCHEMBL28760079 | 0.79 | PIK3CD (0.38) | PIK3CD | |
| SCHEMBL28760120 | 0.74 | PIK3CD (0.62) | PIK3CD | |
| SCHEMBL28760090 | 0.74 | IDH1 (0.41) | PIK3CD | |
| SCHEMBL28760093 | 0.73 | CETP (0.37) | PIK3CDHCRTR1HCRTR2 | |
| SCHEMBL6948748 | 0.67 | GLS (0.42) | — | |
| SCHEMBL8805649 | 0.64 | GLS (0.40) | — | |
| SCHEMBL6674043 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL6676027 | 0.63 | ALDH1A1 (0.41) | — |
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-114478422-A | Pregabalin intermediate and preparation method thereof | 上海医药工业研究院 | 2022-05-13 | — | — | CN | disclosed |