Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9648146 | 0.91 | ESR2 (0.41) | SPHK1ESR2SPHK2NPSR1 | |
| SCHEMBL9758150 | 0.91 | ESR2 (0.41) | SPHK1ESR2SPHK2NPSR1 | |
| SCHEMBL9716013 | 0.87 | ESR2 (0.38) | SPHK1ESR2SPHK2NPSR1 | |
| SCHEMBL9716008 | 0.87 | ESR2 (0.38) | SPHK1ESR2SPHK2NPSR1 | |
| SCHEMBL9757949 | 0.82 | SPHK1 (0.44) | SPHK1ESR2SPHK2 | |
| SCHEMBL9715891 | 0.82 | SPHK1 (0.44) | SPHK1ESR2SPHK2 | |
| SCHEMBL9649561 | 0.82 | GRIA1 (0.39) | SPHK1ESR2 | |
| SCHEMBL9649553 | 0.82 | GRIA1 (0.39) | SPHK1ESR2 | |
| SCHEMBL9758199 | 0.81 | SPHK1 (0.47) | SPHK1ESR2SPHK2 | |
| SCHEMBL9648402 | 0.81 | SPHK1 (0.47) | SPHK1ESR2SPHK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107759-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 1992-12-16 | — | — | EP | disclosed |
| US-5108652-A | Liquid crystal dielectrics | Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) | 1992-04-28 | — | — | US | disclosed |
| US-4986931-A | Cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-22 | — | — | US | disclosed |
| US-4510069-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-09 | — | — | US | disclosed |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |