Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3807939 | 0.94 | SIGMAR1 (0.47) | SIGMAR1CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3808077 | 0.90 | ALDH1A1 (0.39) | SIGMAR1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3808261 | 0.89 | SIGMAR1 (0.47) | SIGMAR1CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3815589 | 0.83 | SIGMAR1 (0.52) | SIGMAR1CYP2A6SLC6A2SLC6A3OPRM1 | |
| SCHEMBL47815 | 0.82 | SIGMAR1 (0.54) | SIGMAR1CYP2A6OPRM1OPRK1CTNNB1 | |
| SCHEMBL3809997 | 0.80 | SIGMAR1 (0.43) | SIGMAR1CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3807880 | 0.80 | TRPM8 (0.35) | SLC6A2SLC6A4SLC6A3ALDH1A1TRPM8 | |
| SCHEMBL3817603 | 0.78 | SIGMAR1 (0.43) | SIGMAR1CYP2A6SLC6A2SLC6A4SLC6A3 | |
| Oxalic Acid SCHEMBL3813198 | 0.78 | SIGMAR1 (0.48) | SIGMAR1CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3816500 | 0.77 | SIGMAR1 (0.56) | SIGMAR1CYP2A6OPRM1OPRK1CA12 |
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-6797726-B1 | N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same | TOYAMA CHEMICAL CO., LTD. (JP) | 2004-09-28 | — | — | US | disclosed |