Known targets — ChEMBL curated mechanism
CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8
The experimentally established mechanism targets of Pregabalin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 2/20 | 0.43 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.43 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.43 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 9/20 | 0.40 |
| ▸ | CASP1 | P29466 | 7/20 | 0.40 |
| ▸ | CASP7 | P55210 | 6/20 | 0.40 |
| ▸ | CASP6 | P55212 | 6/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 6/20 | 0.40 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL6153660 | 0.83 | CASP1 (0.42) | CASP3CASP1CASP7CASP6CASP8 | |
| Pregabalin SCHEMBL6345226 | 0.72 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL3672687 | 0.69 | CACNA2D1 (0.73) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL18199537 | 0.69 | SLC15A1 (0.52) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL14967545 | 0.69 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL14967255 | 0.69 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL12914558 | 0.68 | CASP3 (0.48) | CASP3CASP1CASP7CASP6CASP8 | |
| Hydrochloric Acid SCHEMBL29110345 | 0.68 | SLC15A1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL1044439 | 0.68 | SLC15A1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3469857 | 0.67 | CTSL (0.41) | CCKBRCTSKCTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-6924377-B2 | Process for preparing highly functionalized γ-butyrolactams and γ-amino acids | WARNER-LAMBERT COMPANY (US) | 2005-08-02 | — | — | US | disclosed |