Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13515587 | 1.00 | CYP3A4 (0.70) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL12235320 | 0.85 | CYP3A4 (0.72) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL2378403 | 0.84 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL2379467 | 0.84 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL871577 | 0.84 | CYP3A4 (0.70) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL682189 | 0.84 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL2270713 | 0.84 | CYP3A4 (0.70) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL9115421 | 0.83 | CYP3A4 (0.69) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Water SCHEMBL10423764 | 0.83 | CYP3A4 (0.94) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL2105 | 0.83 | CYP3A4 (1.00) | CYP3A4ALOX15TSHRTP53SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742624-B1 | DOPAMINE-AGONIST COMBINATION THERAPY WITH SEDATIVES FOR IMPROVING SLEEP QUALITY | SEPRACOR INC (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2005079851-A2 | DOPAMINE-AGONIST COMBINATION THERAPY WITH SEDATIVES FOR IMPROVING SLEEP QUALITY | SEPRACOR, INC. (US) | 2005-09-01 | — | — | WO | disclosed |