Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | DRD3 | P35462 | 5/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL10501754 | 0.96 | GRM2 (0.39) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10502006 | 0.95 | GRM2 (0.40) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10779789 | 0.95 | GRM2 (0.40) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10776516 | 0.95 | GRM2 (0.40) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10501454 | 0.95 | GRM2 (0.40) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10502050 | 0.92 | CYP11B2 (0.38) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10501106 | 0.87 | CYP11B2 (0.39) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10502774 | 0.82 | CYP11B2 (0.36) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 | |
| SCHEMBL10779776 | 0.82 | MGLL (0.40) | CYP11B2CYP11B1 | |
| SCHEMBL10502495 | 0.81 | CYP11B2 (0.35) | CYP11B2CYP19A1CYP11B1CYP17A1HRH1 |
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 |