Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 5/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162030 | 0.72 | SLC6A4 (0.68) | SLC6A4SLC7A5SLC6A2SLC6A3KCNH2 | |
| SCHEMBL14607860 | 0.72 | SLC6A4 (0.68) | SLC6A4SLC7A5SLC6A2SLC6A3KCNH2 | |
| SCHEMBL5162023 | 0.72 | SLC6A4 (0.68) | SLC6A4SLC7A5SLC6A2SLC6A3KCNH2 | |
| SCHEMBL6006366 | 0.71 | SLC6A4 (0.49) | SLC6A4SLC7A5SLC6A2SLC6A3KCNK2 | |
| SCHEMBL28612875 | 0.71 | SLC6A4 (0.47) | SLC6A4SLC7A5CACNA2D1SLC6A2SLC6A3 | |
| SCHEMBL29976998 | 0.71 | IDO1 (0.44) | SLC6A4 | |
| SCHEMBL20985642 | 0.71 | IDO1 (0.44) | SLC6A4 | |
| SCHEMBL8202643 | 0.70 | SLC6A4 (0.61) | SLC6A4SLC7A5SLC6A2SLC6A3KCNK2 | |
| SCHEMBL6004073 | 0.70 | SLC6A4 (0.61) | SLC6A4SLC7A5SLC6A2SLC6A3KCNK2 | |
| SCHEMBL5664924 | 0.70 | SLC6A4 (0.70) | SLC6A4SLC6A2SLC6A3 |
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-113166147-A | Novel tetrahydropyrimidine diazepine and tetrahydropyridine diazepine compounds for the treatment of pain and pain-related disorders | 埃斯特韦制药股份公司 | 2021-07-23 | — | — | CN | disclosed |