Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MPL | P40238 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28094043 | 1.00 | BACE1 (0.39) | BACE1IDO1PDE2AGAAKIF11 | |
| SCHEMBL28093529 | 0.88 | PDE2A (0.37) | BACE1IDO1PDE2AGAAKIF11 | |
| SCHEMBL28093533 | 0.88 | PDE2A (0.37) | BACE1IDO1PDE2AGAAKIF11 | |
| SCHEMBL23070808 | 0.82 | NFE2L2 (0.41) | GAAMAPT | |
| SCHEMBL23070810 | 0.82 | NFE2L2 (0.41) | GAAMAPT | |
| SCHEMBL30608104 | 0.81 | AMY1A (0.34) | KDM4EMAPTALDH1A1 | |
| SCHEMBL19634050 | 0.81 | KDM4E (0.41) | GAAKDM4EMAPTMEN1KMT2A | |
| SCHEMBL28333129 | 0.78 | PDE2A (0.37) | PDE2AGAAKIF11SMN1; SMN2 | |
| SCHEMBL28333131 | 0.78 | PDE2A (0.37) | PDE2AGAAKIF11SMN1; SMN2 | |
| SCHEMBL28338194 | 0.77 | AMY1A (0.46) | GAAKDM4EMEN1KMT2AALDH1A1 |
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 2 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 | 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 |