Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 5/20 | 0.34 |
| ▸ | DRD3 | P35462 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10776516 | 0.99 | GRM2 (0.40) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10502006 | 0.99 | GRM2 (0.40) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10779789 | 0.99 | GRM2 (0.40) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10501454 | 0.99 | GRM2 (0.40) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10503100 | 0.96 | CYP11B2 (0.37) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10502050 | 0.91 | CYP11B2 (0.38) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10501106 | 0.86 | CYP11B2 (0.39) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10502495 | 0.82 | CYP11B2 (0.35) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL10780109 | 0.82 | MGLL (0.40) | GRM2CYP11B2CYP11B1HRH1 | |
| SCHEMBL10500948 | 0.81 | ALDH1A1 (0.35) | GRM2CYP11B2CYP19A1CYP11B1CYP17A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0154840-B1 | LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GmbH (DE) | 1989-01-25 | — | — | EP | disclosed |
| US-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |
| EP-0154840-A2 | Liquid crystal compounds | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |