Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 8/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.42 |
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23216745 | 1.00 | NR1H2 (0.42) | NR1H2NR1H3SUV39H2ALDH1A1MCL1 | |
| SCHEMBL29768486 | 1.00 | NR1H2 (0.42) | NR1H2NR1H3SUV39H2ALDH1A1MCL1 | |
| SCHEMBL29768375 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3SUV39H2ALDH1A1ALK | |
| SCHEMBL23239752 | 0.91 | NR1H2 (0.52) | NR1H2NR1H3SUV39H2ALDH1A1ALK | |
| SCHEMBL23239747 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3SUV39H2ALDH1A1ALK | |
| SCHEMBL23216453 | 0.88 | NR1H2 (0.42) | NR1H2NR1H3SUV39H2ALDH1A1MCL1 | |
| SCHEMBL29886243 | 0.88 | NR1H2 (0.42) | NR1H2NR1H3SUV39H2ALDH1A1MCL1 | |
| SCHEMBL29768376 | 0.88 | NR1H2 (0.42) | NR1H2NR1H3SUV39H2ALDH1A1MCL1 | |
| SCHEMBL23215030 | 0.87 | ALDH1A1 (0.36) | ALDH1A1CCR1HSD17B10 | |
| SCHEMBL23239713 | 0.78 | NR1H2 (0.41) | NR1H2NR1H3SUV39H2ALDH1A1OPRK1 |
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-4041407-A1 | ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |