Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL28983091 | 0.83 | CYP19A1 (0.47) | MGLLCYP19A1ALOX15ALOX12 | |
| SCHEMBL31494783 | 0.83 | CYP19A1 (0.47) | MGLLCYP19A1ALOX15ALOX12 | |
| SCHEMBL28983095 | 0.83 | CYP19A1 (0.47) | MGLLCYP19A1ALOX15ALOX12 | |
| SCHEMBL30370372 | 0.83 | CYP19A1 (0.47) | MGLLCYP19A1ALOX15ALOX12 | |
| SCHEMBL30370325 | 0.83 | CYP19A1 (0.47) | MGLLCYP19A1ALOX15ALOX12 | |
| SCHEMBL28983087 | 0.81 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL28983084 | 0.81 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL5663809 | 0.78 | CYP19A1 (0.40) | MGLLCYP19A1 | |
| SCHEMBL29669508 | 0.77 | CYP19A1 (0.43) | CYP19A1ALOX15ALOX12 | |
| SCHEMBL1440721 | 0.76 | TNKS (0.35) | — |
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 |