Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 8/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.37 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917114 | 0.90 | CACNA2D1 (0.46) | CACNA2D1SLC6A2SLC6A9 | |
| SCHEMBL20917101 | 0.84 | CACNA2D1 (0.51) | CACNA2D1SLC6A2 | |
| SCHEMBL28421874 | 0.83 | CACNA2D1 (0.42) | CACNA2D1SLC6A2 | |
| SCHEMBL20917115 | 0.81 | CACNA2D1 (0.42) | CACNA2D1SLC6A2 | |
| SCHEMBL29967217 | 0.76 | SLC6A9 (0.47) | SLC6A9GPR88 | |
| SCHEMBL19564568 | 0.76 | SLC6A9 (0.47) | SLC6A9GPR88 | |
| SCHEMBL19564569 | 0.75 | SLC6A9 (0.48) | SLC6A9 | |
| SCHEMBL19564589 | 0.74 | CACNA2D1 (0.81) | CACNA2D1SLC6A2 | |
| SCHEMBL19564587 | 0.74 | CACNA2D1 (0.81) | CACNA2D1SLC6A2 | |
| SCHEMBL19564592 | 0.74 | CACNA2D1 (0.81) | CACNA2D1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111225901-B | Propylamine derivatives for the treatment of pain and pain-related disorders | 埃斯特韦制药股份公司 | 2023-07-04 | — | — | CN | disclosed |