Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9461101 | 0.85 | HTT (0.50) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL3559987 | 0.83 | HTT (0.49) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| Hydrochloric Acid SCHEMBL3559985 | 0.82 | HTT (0.48) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL2254343 | 0.82 | HTT (0.48) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| Hydrochloric Acid SCHEMBL4493041 | 0.82 | HTT (0.48) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL991667 | 0.81 | HTT (0.47) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL1326830 | 0.80 | CHRM2 (0.43) | HTTCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL15932331 | 0.79 | HTT (0.46) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7400591 | 0.78 | HTT (0.52) | HTTCACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL553588 | 0.75 | KLKB1 (0.49) | HTTCYP1A2ALDH1A1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069605-A1 | NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2012-05-31 | — | — | WO | disclosed |