Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 9/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 9/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28093583 | 0.88 | NR3C2 (0.49) | RPS6KB1P2RX7AKT1 | |
| SCHEMBL27913648 | 0.88 | AURKA (0.53) | AURKARPS6KB1AURKBP2RX7NR3C1 | |
| SCHEMBL28093912 | 0.83 | SCN3A (0.46) | AKT1 | |
| SCHEMBL28093938 | 0.81 | RORA (0.43) | AURKAP2RX7 | |
| SCHEMBL28093761 | 0.80 | P2RX7 (0.50) | P2RX7 | |
| Pyrazinamide SCHEMBL28093953 | 0.79 | MEN1 (0.49) | AURKARPS6KB1AURKBP2RX7NR3C1 | |
| SCHEMBL15432485 | 0.79 | IDO1 (0.57) | AURKARPS6KB1AURKBP2RX7NR3C1 | |
| SCHEMBL28094014 | 0.78 | VNN1 (0.45) | AKT1 | |
| SCHEMBL28833323 | 0.78 | CTSD (0.39) | P2RX7KCNN4 | |
| SCHEMBL28093971 | 0.78 | P2RX7 (0.43) | P2RX7 |
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 |