Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL11280039 | 0.88 | SPHK1 (0.44) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL11288418 | 0.88 | SPHK1 (0.35) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL11280027 | 0.85 | SPHK1 (0.52) | SPHK1 | |
| SCHEMBL11279555 | 0.85 | CYP2C9 (0.40) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL11285329 | 0.84 | SPHK1 (0.58) | SPHK1 | |
| SCHEMBL11284288 | 0.84 | ESR2 (0.39) | ESR2ESR1CYP2C9CYP3A4CHRM2 | |
| SCHEMBL9454671 | 0.83 | ESR2 (0.41) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL9454666 | 0.83 | ESR2 (0.41) | SPHK1ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL11271553 | 0.83 | SPHK1 (0.60) | SPHK1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL11299147 | 0.83 | SPHK1 (0.60) | SPHK1ALDH1A1MAPTMEN1KMT2A |
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-0022183-B1 | DERIVATIVES OF CYCLOHEXYLBIPHENYL, PROCESS FOR THEIR PREPARATION, DIELECTRICS CONTAINING THEM, AND ELECTRON OPTICAL INDICATING ELEMENTS | MERCK PATENT GmbH (DE) | 1982-06-23 | — | — | EP | disclosed |
| US-4330426-A | Cyclohexylbiphenyls, their preparation and use in dielectrics and electrooptical display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-05-18 | — | — | US | disclosed |
| EP-0022183-A2 | Derivatives of cyclohexylbiphenyl, process for their preparation, dielectrics containing them, and electron optical indicating elements | MERCK PATENT GmbH (DE) | 1981-01-14 | — | — | EP | disclosed |