Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3812034 | 0.88 | SIGMAR1 (0.50) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| SCHEMBL3817429 | 0.87 | SIGMAR1 (0.49) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| SCHEMBL3828050 | 0.87 | SIGMAR1 (0.49) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| SCHEMBL3808291 | 0.87 | SIGMAR1 (0.53) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| SCHEMBL3807910 | 0.86 | SIGMAR1 (0.51) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL3816153 | 0.86 | SIGMAR1 (0.48) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL3838282 | 0.85 | SIGMAR1 (0.52) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 | |
| SCHEMBL3812050 | 0.84 | SIGMAR1 (0.47) | SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL3812998 | 0.84 | SIGMAR1 (0.47) | SIGMAR1CYP2A6PDE10A | |
| SCHEMBL3810177 | 0.84 | SIGMAR1 (0.52) | SIGMAR1CYP2A6PDE10ASLC6A4SLC6A3 |
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-1186594-B1 | N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME | TOYAMA CHEMICAL CO LTD (JP) | 2009-08-05 | — | — | EP | disclosed |