Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.63 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.63 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.63 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 2/20 | 0.37 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4412290 | 0.85 | CACNA2D1 (0.74) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1410027 | 0.85 | CACNA2D1 (0.74) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL11762538 | 0.83 | CACNA2D1 (0.71) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7242326 | 0.79 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL12878966 | 0.79 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7860989 | 0.79 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3416592 | 0.79 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2896996 | 0.77 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL15497 | 0.77 | CACNA2D1 (1.00) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL10054695 | 0.77 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023279381-A1 | PHARMACEUTICAL COMPOSITION OF PREGABALIN, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海博志研新药物研究有限公司 | 2023-01-12 | — | — | WO | disclosed |