Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.57 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.57 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25546893 | 0.80 | TSHR (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL10013283 | 0.77 | CACNA2D1 (0.69) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL17278430 | 0.77 | CACNA2D1 (0.69) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL10054693 | 0.77 | CACNA2D1 (0.69) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL19480108 | 0.77 | ANPEP (0.36) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL13855459 | 0.76 | — | — | |
| SCHEMBL964997 | 0.74 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL22057159 | 0.74 | TSHR (0.32) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL26805345 | 0.74 | CACNA2D1 (0.31) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Pregabalin SCHEMBL2370227 | 0.73 | CACNA2D1 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2826470-B1 | Pharmaceutical combinations of pregabalin | ARVEN ILAC SANAYI VE TICARET AS (TR) | 2017-09-06 | — | — | EP | disclosed |