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 | 0.63 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.63 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.63 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | ANPEP | P15144 | 1/20 | 0.50 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.50 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Pregabalin SCHEMBL14967545 | 1.00 | CACNA2D1 (0.63) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7413267 | 0.84 | CACNA2D1 (0.54) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1914050 | 0.84 | CACNA2D1 (0.54) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1913850 | 0.84 | CACNA2D1 (0.54) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL3672687 | 0.83 | CACNA2D1 (0.73) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27598436 | 0.83 | CPA1 (0.53) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2223369 | 0.82 | ANPEP (0.52) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL17627875 | 0.81 | CACNA2D1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Phentermine SCHEMBL14966844 | 0.81 | CACNA2D1 (0.59) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Amphetamine SCHEMBL2323193 | 0.80 | TAAR1 (0.73) | SLC6A2TAAR1MAOASLC6A4SLC6A3 |
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-2013074906-A1 | COMPOSITIONS FOR CONTROLLING FOOD INTAKE AND USES THEREFOR | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2013-05-23 | — | — | WO | disclosed |