Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 10/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917284 | 0.88 | OPRK1 (0.42) | OPRK1CACNA2D1SLC6A2AOC3 | |
| SCHEMBL21747667 | 0.88 | RIPK1 (0.40) | HTR2CSLC6A4CACNA2D1L3MBTL1GPR88 | |
| SCHEMBL19564591 | 0.88 | RIPK1 (0.40) | HTR2CSLC6A4CACNA2D1L3MBTL1GPR88 | |
| SCHEMBL20622322 | 0.88 | SLC6A9 (0.37) | HTR2CSLC6A4CACNA2D1L3MBTL1GPR88 | |
| SCHEMBL30438319 | 0.84 | BACE1 (0.38) | CACNA2D1GPR88SLC6A2 | |
| SCHEMBL30438293 | 0.83 | AURKA (0.46) | — | |
| SCHEMBL29967239 | 0.82 | L3MBTL1 (0.38) | HTR2CSLC6A4L3MBTL1GPR88AOC3 | |
| SCHEMBL20622324 | 0.81 | LIPG (0.36) | HTR2CSLC6A4CACNA2D1L3MBTL1GPR88 | |
| SCHEMBL21102737 | 0.79 | NPSR1 (0.40) | L3MBTL1GPR88SLC6A9 | |
| SCHEMBL19553553 | 0.76 | PTGES (0.43) | CACNA2D1 |
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 |