Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 16/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.50 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20917295 | 1.00 | CACNA2D1 (0.56) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL22714210 | 0.94 | CACNA2D1 (0.58) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20917081 | 0.89 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL30438709 | 0.89 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL20917282 | 0.88 | CACNA2D1 (0.55) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20917072 | 0.86 | SLC6A4 (0.59) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL30438295 | 0.84 | CACNA2D1 (0.54) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20917294 | 0.84 | CACNA2D1 (0.54) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL20917304 | 0.83 | CACNA2D1 (0.54) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR | |
| SCHEMBL22714212 | 0.80 | CACNA2D1 (0.60) | CACNA2D1SLC6A2SLC6A4SLC6A3MLNR |
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 |