Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17346112 | 0.93 | SIGMAR1 (0.47) | SIGMAR1TAAR1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL17346443 | 0.90 | TAAR1 (0.47) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL17345907 | 0.89 | SIGMAR1 (0.45) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24244319 | 0.86 | TAAR1 (0.54) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL17346419 | 0.85 | SIGMAR1 (0.49) | SIGMAR1CYP2C19ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17346347 | 0.83 | HTT (0.47) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL17346323 | 0.83 | SIGMAR1 (0.44) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL17346411 | 0.81 | SIGMAR1 (0.51) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL17346409 | 0.81 | CYP2C19 (0.43) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL17346183 | 0.80 | SIGMAR1 (0.44) | SIGMAR1TAAR1CYP2C19ALDH1A1CYP1A2 |
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 |