Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17346409 | 0.93 | CYP2C19 (0.43) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17345900 | 0.89 | SIGMAR1 (0.47) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17346419 | 0.87 | SIGMAR1 (0.49) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17346325 | 0.87 | TSHR (0.41) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17346348 | 0.87 | BCHE (0.41) | SIGMAR1SLC6A2SLC6A4SLC6A3CHRM2 | |
| SCHEMBL17346411 | 0.83 | SIGMAR1 (0.51) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17346112 | 0.82 | SIGMAR1 (0.47) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17345915 | 0.82 | SIGMAR1 (0.43) | SIGMAR1 | |
| SCHEMBL17346235 | 0.82 | SIGMAR1 (0.46) | SIGMAR1CHRM2 | |
| SCHEMBL17346443 | 0.81 | TAAR1 (0.47) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 |
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-2015191505-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2015-12-17 | — | — | WO | disclosed |