Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | NOS2 | P35228 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CPN1 | P15169 | 1/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.49 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.48 |
| ▸ | C3AR1 | Q16581 | 9/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | NPY1R | P25929 | 2/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1736049 | 1.00 | CYP2C19 (0.53) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL25260960 | 1.00 | CYP2C19 (0.53) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL30151413 | 1.00 | CYP2C19 (0.53) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL29388277 | 0.81 | CYP2C19 (0.58) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL3039364 | 0.81 | CYP2C19 (0.58) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL30574465 | 0.81 | CYP1A2 (0.53) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL1738275 | 0.81 | CYP1A2 (0.53) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL29521677 | 0.80 | CHRM2 (0.68) | CYP2C19NOS2CYP1A2GLATSHR | |
| SCHEMBL16748402 | 0.80 | CHRM2 (0.68) | CYP2C19NOS2CYP1A2GLATSHR | |
| Water SCHEMBL30600465 | 0.79 | CHRM2 (0.66) | CYP2C19NOS2CYP1A2GLATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-4211463-A1 | ARRAY, SOAKING SOLUTIONS AND METHOD OF SELECTING SOAKING CONDITIONS FOR SMALL MOLECULES IN BIOLOGICAL MACROMOLECULAR CRYSTALS | CrystalsFirst GmbH (DE) | 2023-07-19 | — | — | EP | disclosed |