Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | LYPLA1 | O75608 | 1/20 | 0.36 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.36 |
| ▸ | ABHD16A | O95870 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8961451 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8159218 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10479523 | 0.99 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10479528 | 0.99 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10479837 | 0.99 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10479835 | 0.99 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7754624 | 0.98 | CYP3A4 (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7510169 | 0.98 | CYP3A4 (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10479995 | 0.97 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10479993 | 0.97 | CYP3A4 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE36849-E | 2-(4-(ALK(EN)YL, ALKOXY, ALKANOYL)-4'-BICYCLOHEXYL)-1-(2,3-(HALO OR NITRILE),4-HALOPHENYL)ETHANE COMPOUNDS; ELECTROOPTICAL DISPLAY WITH MULTIPLEX OPERATION COMPRISING A LIQUID CRYSTAL MIXTURE AS DIELECTRIC | MERCK PATENT GMBH (DE) | 2000-09-05 | — | — | US | disclosed |
| EP-0502407-B1 | Nematic liquid-crystal composition for active matrix application | SHARP KK (JP) | 1996-02-07 | — | — | EP | disclosed |
| US-5330679-A | Low temperature stability | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-07-19 | — | — | US | disclosed |
| EP-0502407-A1 | Nematic liquid-crystal composition for active matrix application | SHARP CORPORATION (JP) | 1992-09-09 | — | — | EP | disclosed |
| US-4710315-A | USE WITH MULTIPLEXIBLE DISPLAYS HAVING HIGH DENSITY IMAGES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-01 | — | — | US | disclosed |