Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10502093 | 0.92 | MEN1 (0.33) | GRM2 | |
| SCHEMBL10501839 | 0.92 | GRM2 (0.33) | GRM2 | |
| SCHEMBL10501324 | 0.92 | GRM2 (0.33) | GRM2 | |
| SCHEMBL10501915 | 0.91 | TSHR (0.35) | GRM2ALDH1A1 | |
| SCHEMBL9453989 | 0.85 | CYP11B1 (0.34) | GRM2ALDH1A1 | |
| SCHEMBL10350015 | 0.83 | CYP11B1 (0.41) | GRM2KDM4EALDH1A1HPGD | |
| SCHEMBL10776606 | 0.83 | PRSS1 (0.37) | GRM2CYP1A2ALDH1A1HPGD | |
| SCHEMBL10502378 | 0.82 | CYP11B1 (0.40) | GRM2ALDH1A1HPGD | |
| SCHEMBL10501185 | 0.82 | CYP11B1 (0.40) | GRM2ALDH1A1HPGD | |
| SCHEMBL10501859 | 0.82 | CYP11B1 (0.40) | GRM2ALDH1A1HPGD |
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-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 |