Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.56 |
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6524716 | 0.88 | CXCR4 (0.58) | CXCR4ACHEBACE1FAAHPARP1 | |
| SCHEMBL14492263 | 0.86 | CXCR4 (0.59) | CXCR4ACHEBACE1FAAHDRD2 | |
| SCHEMBL15933763 | 0.84 | ACHE (0.50) | ACHEKDM4EALDH1A1MAPT | |
| SCHEMBL15933901 | 0.83 | MBTD1 (0.60) | ACHEFAAHPARP1PARP2DRD4 | |
| SCHEMBL15933900 | 0.83 | MAPT (0.68) | CXCR4ACHEFAAHKDM4EALDH1A1 | |
| SCHEMBL14492265 | 0.82 | CXCR4 (0.62) | CXCR4ACHEBACE1FAAHDRD2 | |
| SCHEMBL8825661 | 0.82 | SIGMAR1 (0.62) | ACHEFAAHKDM4EALDH1A1MAPT | |
| SCHEMBL15933762 | 0.82 | CCR3 (0.45) | KDM4EALDH1A1MAPT | |
| SCHEMBL15933891 | 0.82 | ALDH1A1 (0.53) | ACHEBACE1FAAHALDH1A1 | |
| SCHEMBL6943838 | 0.82 | BACE1 (0.58) | CXCR4ACHEBACE1PARP1PARP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014117669-A1 | BENZISOSELENAZOLONE-CONTAINING DONEPEZIL ANALOG | 中山大学 (CN) | 2014-08-07 | — | — | WO | disclosed |