Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.56 |
| ▸ | CTSD | P07339 | 2/20 | 0.54 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28182078 | 1.00 | BACE1 (0.56) | BACE1CTSDBACE2 | |
| SCHEMBL28891603 | 0.96 | BACE1 (0.56) | BACE1CTSDBACE2 | |
| SCHEMBL28891604 | 0.96 | BACE1 (0.56) | BACE1CTSDBACE2 | |
| SCHEMBL29971465 | 0.89 | NPY1R (0.56) | BACE1CTSDBACE2 | |
| SCHEMBL29415210 | 0.88 | BACE1 (0.61) | BACE1CTSDBACE2 | |
| SCHEMBL5576870 | 0.87 | OPRK1 (0.63) | BACE1CTSDBACE2 | |
| SCHEMBL30616041 | 0.87 | OPRK1 (0.58) | BACE1CTSDBACE2 | |
| SCHEMBL5576866 | 0.87 | OPRK1 (0.63) | BACE1CTSDBACE2 | |
| SCHEMBL29659768 | 0.87 | OPRK1 (0.58) | BACE1CTSDBACE2 | |
| SCHEMBL31134068 | 0.87 | OPRK1 (0.62) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107286221-A | A kind of orientation medium for determining nuclear magnetic resonance residual dipolar coupling and its preparation and application | 中南民族大学 | 2017-10-24 | — | — | CN | disclosed |