Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.48 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29450631 | 0.87 | HCRTR2 (0.49) | CYP2C9NAMPTHSD17B10TRPV1HCRTR2 | |
| SCHEMBL29450619 | 0.82 | TRPV1 (0.60) | CYP2C9TRPV1GAA | |
| SCHEMBL29450624 | 0.82 | TRPV1 (0.60) | CYP2C9TRPV1GAA | |
| SCHEMBL29450620 | 0.79 | HTT (0.59) | NAMPTHSD17B10MAPT | |
| SCHEMBL27485897 | 0.78 | ALDH1A1 (0.58) | CYP2C9NAMPTHSD17B10GAAHCRTR2 | |
| SCHEMBL2406801 | 0.77 | ALDH1A1 (0.48) | CYP2C9HSD17B10KCNQ2MAPT | |
| SCHEMBL2407484 | 0.77 | ALDH1A1 (0.48) | CYP2C9HSD17B10KCNQ2MAPT | |
| SCHEMBL18415462 | 0.76 | MAPT (0.55) | CYP2C9HSD17B10KCNQ2MAPT | |
| SCHEMBL29450607 | 0.74 | NAMPT (0.62) | NAMPTHSD17B10ROCK2ROCK1 | |
| SCHEMBL12191029 | 0.72 | ROCK2 (0.57) | ROCK2ROCK1 |
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-2022030589-A1 | LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME | 国立大学法人北海道大学 | 2022-02-10 | — | — | WO | disclosed |