Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 8/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28456934 | 0.78 | CACNA2D1 (0.39) | MAOBCACNA2D1SLC6A2 | |
| SCHEMBL28687796 | 0.77 | IDO1 (0.47) | IDO1AGXTMAOBMAOAHCAR2 | |
| SCHEMBL22367190 | 0.76 | CACNA2D1 (0.41) | MAOBCACNA2D1SLC6A2NPC1MAOA | |
| SCHEMBL20917472 | 0.76 | CACNA2D1 (0.41) | MAOBCACNA2D1SLC6A2NPC1MAOA | |
| SCHEMBL20917473 | 0.75 | CACNA2D1 (0.44) | CACNA2D1SLC6A2NPC1HCAR2 | |
| SCHEMBL29967235 | 0.72 | RIPK1 (0.40) | MAOBCACNA2D1SLC6A2NPC1 | |
| SCHEMBL30620883 | 0.70 | MAOB (0.59) | IDO1AGXTMAOBMAOATNKS2 | |
| SCHEMBL30620884 | 0.70 | MAOB (0.59) | IDO1AGXTMAOBMAOATNKS2 | |
| SCHEMBL28176440 | 0.70 | MAOB (0.59) | IDO1AGXTMAOBMAOATNKS2 | |
| SCHEMBL21518234 | 0.68 | IDO1 (0.55) | IDO1AGXTMAOBMAOAHCAR2 |
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-111566091-A | Novel alkoxyamino derivatives for the treatment of pain and pain related disorders | 埃斯特韦制药有限公司 | 2020-08-21 | — | — | CN | disclosed |