Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 3/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 10/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19993444 | 0.82 | AR (0.33) | RXRARXRBRXRGARCYP11B1 | |
| SCHEMBL21036112 | 0.81 | MMP3 (0.47) | ARCYP11B1CYP11B2PGRHRH3 | |
| SCHEMBL19993385 | 0.79 | ESR1 (0.33) | RXRARXRGCYP11B1CYP11B2CYP17A1 | |
| SCHEMBL19993333 | 0.75 | S1PR1 (0.36) | ARCYP11B1CYP11B2 | |
| SCHEMBL24108550 | 0.73 | CYP11B1 (0.40) | CYP11B1CYP11B2SNCA | |
| SCHEMBL7143365 | 0.73 | CYP11B1 (0.40) | ARCYP11B1CYP11B2SNCA | |
| SCHEMBL7135612 | 0.73 | MAOB (0.38) | SNCA | |
| SCHEMBL19993384 | 0.73 | CYP19A1 (0.33) | RXRARXRBRXRGCYP11B1CYP11B2 | |
| SCHEMBL19993340 | 0.71 | AR (0.32) | ARPGR | |
| SCHEMBL19993267 | 0.71 | CYP17A1 (0.55) | CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3512920-B1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |
| WO-2018050573-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |