Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.69 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.69 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.69 |
| ▸ | PGR | P06401 | 1/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.69 |
| ▸ | HTR2B | P41595 | 1/20 | 0.69 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.69 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BHMT | Q93088 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1913802 | 1.00 | CACNA2D1 (0.69) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3123325 | 1.00 | CACNA2D1 (0.69) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3121991 | 1.00 | CACNA2D1 (0.69) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL1913682 | 0.89 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3120929 | 0.89 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL13752149 | 0.89 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL5508812 | 0.89 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3125520 | 0.89 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL5505479 | 0.89 | CACNA2D1 (0.65) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL3118395 | 0.89 | CACNA2D1 (0.65) | 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-1840117-A1 | Mono- and disubstituted 3-propyl gamma-aminobutyric acids | Warner-Lambert Company LLC (US) | 2007-10-03 | — | — | EP | disclosed |