Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RORA | P35398 | 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 | |
|---|---|---|---|---|
| SCHEMBL7782286 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL7663713 | 0.93 | CYP2C9 (0.41) | CYP3A4CYP2C9APPMAPTALDH1A1 | |
| SCHEMBL7663705 | 0.93 | CYP2C9 (0.41) | CYP3A4CYP2C9APPMAPTALDH1A1 | |
| SCHEMBL8652983 | 0.93 | CYP2C9 (0.44) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL739937 | 0.93 | CYP2C9 (0.44) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL8652988 | 0.93 | CYP2C9 (0.44) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL13433633 | 0.93 | CYP2C9 (0.44) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL871810 | 0.93 | CYP2C9 (0.44) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL8831427 | 0.93 | CYP3A4 (0.44) | CYP3A4CYP2C9FASNAPPMAPT | |
| SCHEMBL4799678 | 0.93 | CYP3A4 (0.44) | CYP3A4CYP2C9FASNAPPMAPT |
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 7 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-5093026-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0407569-A1 | DIPHENYLETHANES | MERCK PATENT GmbH (DE) | 1991-01-16 | — | — | EP | disclosed |
| WO-1990008756-A1 | DIPHENYLETHANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |