Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 14/20 | 0.89 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8218859 | 0.94 | CACNA1H (1.00) | CACNA1HCYP2D6ALDH1A1S1PR2CYP1A2 | |
| SCHEMBL8226448 | 0.91 | CACNA1H (0.87) | CACNA1HCYP2D6ALDH1A1S1PR2CYP1A2 | |
| SCHEMBL13595977 | 0.91 | CACNA1H (1.00) | CACNA1HS1PR2 | |
| SCHEMBL8224175 | 0.91 | CACNA1H (0.86) | CACNA1HCYP2D6ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8224751 | 0.89 | CACNA1H (0.84) | CACNA1HCYP2D6ALDH1A1 | |
| SCHEMBL13595940 | 0.89 | CACNA1H (0.82) | CACNA1HS1PR2 | |
| SCHEMBL13595932 | 0.88 | CACNA1H (0.81) | CACNA1HCYP2D6S1PR2CYP2C19 | |
| SCHEMBL8227800 | 0.85 | CACNA1H (0.64) | CACNA1HALDH1A1CA12CA1CA2 | |
| SCHEMBL8223677 | 0.84 | CACNA1H (0.64) | CACNA1H | |
| SCHEMBL13595964 | 0.84 | CACNA1H (0.75) | CACNA1HCYP2D6S1PR2CYP2C19 |
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-2008033460-A2 | TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS | SCHERING CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |