Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690512 | 1.00 | HTR1A (0.49) | HTR1AADRA1AADRA1DALDH1A1MAPT | |
| SCHEMBL10687614 | 0.94 | HTR1A (0.49) | HTR1AADRA1AADRA1DALDH1A1CHRM2 | |
| SCHEMBL10687609 | 0.94 | HTR1A (0.49) | HTR1AADRA1AADRA1DALDH1A1CHRM2 | |
| SCHEMBL10687958 | 0.92 | HTR1A (0.47) | HTR1AADRA1AADRA1DALDH1A1CHRM2 | |
| SCHEMBL10685878 | 0.92 | HTR1A (0.47) | HTR1AADRA1AADRA1DALDH1A1MAPT | |
| SCHEMBL10685883 | 0.92 | HTR1A (0.47) | HTR1AADRA1AADRA1DALDH1A1MAPT | |
| SCHEMBL10687964 | 0.92 | HTR1A (0.47) | HTR1AADRA1AADRA1DALDH1A1CHRM2 | |
| SCHEMBL10687504 | 0.91 | HTR1A (0.46) | HTR1AADRA1AADRA1DALDH1A1MAPT | |
| SCHEMBL10688122 | 0.91 | HTR1A (0.46) | HTR1AADRA1AADRA1DALDH1A1LTA4H | |
| SCHEMBL10687497 | 0.91 | HTR1A (0.46) | HTR1AADRA1AADRA1DALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | disclosed |