Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 17/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27755286 | 0.69 | SLC6A3 (0.76) | SLC6A3SLC6A4SLC6A2CYP2D6 | |
| SCHEMBL11047193 | 0.69 | OPRM1 (0.59) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL13253935 | 0.69 | OPRM1 (0.59) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL13698275 | 0.69 | OPRM1 (0.46) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL13698285 | 0.69 | SLC6A4 (0.57) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL28193567 | 0.69 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL10300805 | 0.68 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL26985761 | 0.68 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL8218431 | 0.68 | SLC6A4 (0.46) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL28490104 | 0.67 | KDM4E (0.53) | SLC6A3SLC6A4SLC6A2 |
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-112522329-B | Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol | 中国科学院天津工业生物技术研究所 | 2021-10-08 | — | — | CN | disclosed |
| CN-112522329-A | Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol | 中国科学院天津工业生物技术研究所 | 2021-03-19 | — | — | CN | disclosed |