Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.31 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8681282 | 0.82 | CYP1A2 (0.43) | ERBB2CYP1A2FYNMAOAACHE | |
| Lithium Ion SCHEMBL5621652 | 0.82 | CYP1A2 (0.43) | ERBB2CYP1A2FYNMAOAACHE | |
| Tetrabuthylammonium SCHEMBL4239923 | 0.77 | KCNH2 (0.33) | ERBB2CYP1A2FYNMAOAACHE | |
| Tetraphenylphosphonium SCHEMBL6243111 | 0.74 | CYP1A2 (0.37) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL8395213 | 0.73 | CETP (0.34) | MAOACETPGPBAR1NPC1LMNA | |
| SCHEMBL6025296 | 0.73 | CETP (0.34) | MAOACETPGPBAR1NPC1LMNA | |
| Tetrabuthylammonium SCHEMBL4938819 | 0.73 | SLC22A1 (0.40) | CYP1A2NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL182202 | 0.71 | CYP1A2 (0.44) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL27797746 | 0.70 | LIPG (0.45) | MAPTLIPG | |
| SCHEMBL17111470 | 0.69 | TLR8 (0.42) | ERBB2CYP1A2FYNMAOAACHE |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790489-B2 | MIXTURE OF POLAR COMPOUNDS OF NEGATIVE DIELECTRIC ANISOTROPY COMPRISING SPIRO(3.3)HEPTANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-14 | — | — | US | disclosed |
| US-20040058158-A1 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2004-03-25 | — | — | US | disclosed |
| 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 |
| US-5124068-A | Liquid crystal displays | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-06-23 | — | — | US | disclosed |
| US-5043093-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-08-27 | — | — | US | disclosed |
| US-5030383-A | With low temperature dependence of threshold voltage | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-09 | — | — | US | disclosed |
| US-4871472-A | Esters in ferroelectric mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-10-03 | — | — | US | disclosed |
| US-4724097-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-02-09 | — | — | US | disclosed |
| US-4710315-A | USE WITH MULTIPLEXIBLE DISPLAYS HAVING HIGH DENSITY IMAGES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-01 | — | — | US | disclosed |
| US-4678283-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-07-07 | — | — | US | disclosed |
| US-4663073-A | LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-05-05 | — | — | US | disclosed |
| US-4659502-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-04-21 | — | — | US | disclosed |
| US-4620938-A | Hydroterphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-11-04 | — | — | US | disclosed |
| US-4606845-A | DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-08-19 | — | — | US | disclosed |
| US-4600528-A | Decalin-carbonitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-07-15 | — | — | US | disclosed |
| US-4537698-A | DIELECTICS FOR ELECTROOPTICAL DISPLAY DEVICES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-08-27 | — | — | US | disclosed |