Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1720045 | 0.86 | SLC6A3 (0.41) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL12228211 | 0.85 | CCR1 (0.37) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL7021650 | 0.82 | OPRM1 (0.44) | SLC6A3SLC6A2CHRNA1CHRNB1CHRNB2 | |
| SCHEMBL9181836 | 0.81 | DRD2 (0.47) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL18100606 | 0.81 | CHRNA1 (0.38) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL18251913 | 0.78 | OPRM1 (0.41) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL19090379 | 0.77 | ALDH1A1 (0.42) | SLC6A3SLC6A2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16591280 | 0.77 | SLC6A3 (0.43) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL17985284 | 0.77 | SLC6A3 (0.43) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL17985285 | 0.77 | SLC6A3 (0.43) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-5185098-A | Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls | HOFFMANN-LA ROCHE INC. (US) | 1993-02-09 | — | — | US | disclosed |