Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 4/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 5/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27931753 | 0.88 | VNN1 (0.50) | VNN1GPR52JAK2JAK3CYP3A4 | |
| SCHEMBL27913626 | 0.82 | NAMPT (0.52) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL28093750 | 0.81 | JAK2 (0.40) | VNN1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28093583 | 0.81 | NR3C2 (0.49) | VNN1GPR52AKT1 | |
| SCHEMBL28094034 | 0.78 | AURKA (0.46) | AKT1 | |
| SCHEMBL28093938 | 0.78 | RORA (0.43) | CYP2D6CYP3A4ALDH1A1LMNA | |
| Pyrazinamide SCHEMBL28094029 | 0.77 | TSHR (0.46) | VNN1CYP2D6GPR52JAK2JAK3 | |
| SCHEMBL15432482 | 0.77 | CYP3A4 (0.41) | VNN1CYP3A4ALDH1A1HTTLMNA | |
| SCHEMBL28833323 | 0.76 | CTSD (0.39) | VNN1 | |
| SCHEMBL28093971 | 0.76 | P2RX7 (0.43) | — |
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 |