Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 8/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10689277 | 1.00 | CHRM2 (0.43) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL10689377 | 0.96 | CHRM2 (0.49) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL10689371 | 0.96 | CHRM2 (0.49) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL10689386 | 0.96 | CHRM2 (0.49) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL7508064 | 0.88 | CHRM2 (0.41) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL8046421 | 0.88 | CHRM2 (0.41) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL8046424 | 0.88 | CHRM2 (0.41) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL8449001 | 0.85 | GRM2 (0.43) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL10687897 | 0.85 | GRM2 (0.43) | CHRM2CHRM3CHRM4CHRM1CHRM5 | |
| SCHEMBL10688995 | 0.84 | CHRM2 (0.47) | CHRM2CHRM3CHRM4CHRM1CHRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0151446-B1 | LIQUID CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1990-09-19 | — | — | EP | disclosed |
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | disclosed |
| EP-0151446-A2 | Liquid crystal phase | MERCK PATENT GmbH (DE) | 1985-08-14 | — | — | EP | disclosed |