Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 4/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.33 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.33 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30075973 | 1.00 | CYP11B1 (0.37) | CYP11B1CYP11B2DGAT1KDM1AALOX5AP | |
| SCHEMBL14586329 | 0.83 | GLA (0.45) | CYP11B1CYP11B2DGAT1KDM1AALOX5AP | |
| SCHEMBL30075934 | 0.79 | PDE3B (0.39) | DGAT1KDM1AALOX5APFEN1GAA | |
| SCHEMBL23723931 | 0.79 | PDE3B (0.39) | DGAT1KDM1AALOX5APFEN1GAA | |
| SCHEMBL29514712 | 0.78 | CYP11B2 (0.53) | CYP11B1CYP11B2DGAT1KDM1AKIF11 | |
| SCHEMBL56867 | 0.78 | CYP11B2 (0.53) | CYP11B1CYP11B2DGAT1KDM1AKIF11 | |
| SCHEMBL14520998 | 0.78 | DGAT1 (0.46) | DGAT1KDM1AALOX5APFEN1NMUR2 | |
| SCHEMBL31310573 | 0.78 | DGAT1 (0.46) | DGAT1KDM1AALOX5APFEN1NMUR2 | |
| SCHEMBL5574275 | 0.72 | GLA (0.54) | CYP11B1CYP11B2KDM1AGLAPOLB | |
| SCHEMBL28453327 | 0.71 | PDE2A (0.45) | KDM1AGLAPOLBGAATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4100489-B1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2024-01-10 | — | — | EP | disclosed |
| EP-4100489-A1 | LIQUID-CRYSTALLINE COMPOUNDS | Merck Patent GmbH (DE) | 2022-12-14 | — | — | EP | disclosed |
| WO-2021156232-A1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-08-12 | — | — | WO | disclosed |
| WO-2021156232-A1 | LIQUID-CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-08-12 | — | — | WO | disclosed |