Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.76 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL48248 | 0.89 | SIGMAR1 (0.70) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| SCHEMBL48619 | 0.89 | SIGMAR1 (0.79) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| SCHEMBL52099 | 0.87 | SIGMAR1 (0.70) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| SCHEMBL47955 | 0.87 | SIGMAR1 (0.70) | SIGMAR1HCRTR1HCRTR2SLC6A4SLC6A3 | |
| SCHEMBL48025 | 0.86 | SIGMAR1 (0.72) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| SCHEMBL48405 | 0.86 | SIGMAR1 (0.69) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| T-817 SCHEMBL27725 | 0.86 | SIGMAR1 (1.00) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| T-817 SCHEMBL30574118 | 0.86 | SIGMAR1 (1.00) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| SCHEMBL47923 | 0.86 | SIGMAR1 (0.87) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 | |
| Hydrochloric Acid SCHEMBL47938 | 0.85 | SIGMAR1 (0.85) | SIGMAR1CYP2A6HCRTR1HCRTR2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1437353-B1 | ALKYL ETHER DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2007-06-13 | — | — | EP | disclosed |