Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 16/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917084 | 1.00 | CACNA2D1 (0.49) | CACNA2D1SLC6A2NPC1ALDH1A1MAPT | |
| SCHEMBL30438999 | 0.91 | CACNA2D1 (0.47) | CACNA2D1SLC6A2HTT | |
| SCHEMBL20917057 | 0.91 | CACNA2D1 (0.47) | CACNA2D1SLC6A2HTT | |
| SCHEMBL20917065 | 0.90 | CACNA2D1 (0.48) | CACNA2D1SLC6A2 | |
| SCHEMBL30437968 | 0.90 | CACNA2D1 (0.48) | CACNA2D1SLC6A2 | |
| SCHEMBL20917082 | 0.88 | CACNA2D1 (0.50) | CACNA2D1SLC6A2 | |
| SCHEMBL30438634 | 0.88 | CACNA2D1 (0.50) | CACNA2D1SLC6A2 | |
| SCHEMBL20917070 | 0.87 | CACNA2D1 (0.51) | CACNA2D1SLC6A2 | |
| SCHEMBL30438351 | 0.87 | CACNA2D1 (0.51) | CACNA2D1SLC6A2 | |
| SCHEMBL20917277 | 0.86 | CACNA2D1 (0.48) | 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 2 patents. 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 | claimed |
| 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 |