Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28093529 | 1.00 | PDE2A (0.37) | PDE2AIDO1KDM4EGAAAMY1A | |
| SCHEMBL28094043 | 0.88 | BACE1 (0.39) | PDE2AIDO1KDM4EGAAAPP | |
| SCHEMBL28094044 | 0.88 | BACE1 (0.39) | PDE2AIDO1KDM4EGAAAPP | |
| SCHEMBL28099631 | 0.82 | GRIN2D (0.47) | KDM4EAMY1ACYP1A1CYP1B1BACE1 | |
| SCHEMBL30772064 | 0.79 | AMY1A (0.35) | KDM4EGAAAMY1A | |
| SCHEMBL17713049 | 0.75 | IDO1 (0.41) | PDE2AIDO1KDM4EGAACYP1A1 | |
| SCHEMBL26946914 | 0.75 | LMNA (0.50) | KDM4EGAA | |
| SCHEMBL17713048 | 0.75 | IDO1 (0.41) | PDE2AIDO1KDM4EGAACYP1A1 | |
| SCHEMBL13548653 | 0.75 | PDE2A (0.42) | PDE2AIDO1KDM4EGAACYP1A1 | |
| SCHEMBL31136730 | 0.74 | PDE2A (0.39) | PDE2AIDO1KDM4EGAACYP1A1 |
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 | disclosed |
| CN-103958506-B | 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH | 诺华股份有限公司 | 2017-02-22 | — | — | 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 |