Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.56 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.56 |
| ▸ | CTSD | P07339 | 2/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | NPY1R | P25929 | 1/20 | 0.52 |
| ▸ | NPY2R | P49146 | 1/20 | 0.52 |
| ▸ | NPY4R | P50391 | 1/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28891603 | 1.00 | BACE1 (0.56) | BACE1BACE2CTSDOPRK1NPY1R | |
| SCHEMBL28182078 | 0.96 | BACE1 (0.56) | BACE1BACE2CTSD | |
| SCHEMBL28182080 | 0.96 | BACE1 (0.56) | BACE1BACE2CTSD | |
| SCHEMBL29971465 | 0.93 | NPY1R (0.56) | BACE1BACE2CTSDOPRK1NPY1R | |
| SCHEMBL29415210 | 0.91 | BACE1 (0.61) | BACE1BACE2CTSDOPRK1NPY1R | |
| SCHEMBL29659768 | 0.91 | OPRK1 (0.58) | BACE1BACE2CTSDOPRK1NPY1R | |
| SCHEMBL5576866 | 0.91 | OPRK1 (0.63) | BACE1BACE2CTSDOPRK1 | |
| SCHEMBL30616041 | 0.91 | OPRK1 (0.58) | BACE1BACE2CTSDOPRK1NPY1R | |
| SCHEMBL5576870 | 0.91 | OPRK1 (0.63) | BACE1BACE2CTSDOPRK1 | |
| SCHEMBL31393817 | 0.90 | BACE1 (0.62) | BACE1BACE2CTSDOPRK1NPY1R |
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-B | Directional medium for determining nuclear magnetic resonance residual dipole coupling and preparation and application thereof | 中南民族大学 | 2020-06-23 | — | — | CN | disclosed |