Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.49 |
| ▸ | VNN1 | O95497 | 6/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 4/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 4/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28094034 | 0.88 | AURKA (0.46) | RPS6KB1P2RX7AKT1 | |
| SCHEMBL27913577 | 0.88 | VNN1 (0.53) | NR3C2VNN1RPS6KB1P2RX7PTPN7 | |
| SCHEMBL28833323 | 0.85 | CTSD (0.39) | VNN1P2RX7 | |
| SCHEMBL28093971 | 0.82 | P2RX7 (0.43) | P2RX7 | |
| SCHEMBL27913868 | 0.82 | P2RX7 (0.51) | NR3C2RPS6KB1P2RX7PTPN7DUSP3 | |
| SCHEMBL28093750 | 0.81 | JAK2 (0.40) | VNN1 | |
| SCHEMBL28094014 | 0.81 | VNN1 (0.45) | VNN1AKT1GPR52 | |
| SCHEMBL28093891 | 0.80 | CD38 (0.51) | NR3C2RPS6KB1P2RX7 | |
| SCHEMBL27931776 | 0.79 | VNN1 (0.46) | NR3C2VNN1RPS6KB1P2RX7AKT1 | |
| SCHEMBL28093514 | 0.79 | AAK1 (0.38) | RPS6KB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | claimed |
| CN-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | disclosed |
| CN-103249721-B | Arylamine Derivatives as TTX-S Blockers | 拉夸里亚创药株式会社 | 2016-10-12 | — | — | CN | disclosed |