Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 14/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 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 | |
|---|---|---|---|---|
| SCHEMBL593975 | 0.85 | NR1H2 (0.44) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL29957250 | 0.85 | NR1H2 (0.44) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL17690271 | 0.85 | ESR2 (0.40) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL29643728 | 0.84 | NR1H2 (0.45) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL2930214 | 0.84 | NR1H2 (0.39) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL7921587 | 0.84 | CCNB2 (0.41) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL29955454 | 0.84 | NR1H2 (0.39) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL31140070 | 0.84 | CCNB2 (0.41) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL594560 | 0.84 | NR1H2 (0.45) | NR1H2NR1H3CA12CA9GABRG2 | |
| SCHEMBL29955030 | 0.83 | NR1H2 (0.46) | NR1H2CA12CA9 |
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-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |