Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7783048 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL8831427 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL4799680 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL4799678 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL7759051 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL10659185 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL10502174 | 0.91 | CYP2C9 (0.44) | CYP3A4CYP2C9APPMAPTFASN | |
| SCHEMBL10502182 | 0.91 | CYP2C9 (0.44) | CYP3A4CYP2C9APPMAPTFASN | |
| SCHEMBL8997295 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9APPRARBGAA | |
| SCHEMBL13433633 | 0.90 | CYP2C9 (0.44) | CYP3A4CYP2C9APPRARBGAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637623-B1 | Cyclic hydrocarbon derivative and liquid crystal composition containing the same | DAINIPPON INK & CHEMICALS (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-5536443-A | DUTERIUM CONTAINING COMPOUNDS FOOR ELECTROOPTICAL APPARATUS | DAINIPPON INK & CHEMICALS, INC. (JP) | 1996-07-16 | — | — | US | disclosed |
| US-5474707-A | Electrooptic display | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1995-12-12 | — | — | US | disclosed |
| EP-0637623-A1 | Cyclic hydrocarbon derivative and liquid crystal composition containing the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1995-02-08 | — | — | EP | disclosed |
| US-5188758-A | Electrooptical display element using a supertwist liquid crystal having specified elastic constants | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |
| EP-0088907-B1 | HALOGEN BIPHENYL DERIVATIVES | MERCK PATENT GmbH (DE) | 1985-10-16 | — | — | EP | disclosed |
| US-4544771-A | LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-10-01 | — | — | US | disclosed |
| US-4505838-A | Halogenobiphenyl derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-03-19 | — | — | US | disclosed |
| EP-0088907-A1 | Halogen biphenyl derivatives | MERCK PATENT GmbH (DE) | 1983-09-21 | — | — | EP | disclosed |