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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 2/20 | 0.45 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.45 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.45 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.34 |
| ▸ | CASP3 | P42574 | 3/20 | 0.34 |
| ▸ | CASP7 | P55210 | 3/20 | 0.34 |
| ▸ | CASP6 | P55212 | 3/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 3/20 | 0.34 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL6153666 | 0.83 | LMNA (0.39) | GLRA1 | |
| Pregabalin SCHEMBL3672687 | 0.73 | CACNA2D1 (0.73) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL6345229 | 0.72 | CACNA2D1 (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL18199537 | 0.70 | SLC15A1 (0.52) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL14967255 | 0.70 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL14967545 | 0.70 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL1044439 | 0.69 | SLC15A1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL29110345 | 0.69 | SLC15A1 (0.51) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4938161 | 0.68 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL4938152 | 0.68 | CACNA2D1 (0.47) | 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 |
|---|---|---|---|---|---|---|---|
| US-6924377-B2 | Process for preparing highly functionalized γ-butyrolactams and γ-amino acids | WARNER-LAMBERT COMPANY (US) | 2005-08-02 | — | — | US | disclosed |