Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL755504 | 0.80 | MAPT (0.45) | SIGMAR1 | |
| SCHEMBL22873345 | 0.80 | MAPT (0.45) | SIGMAR1 | |
| SCHEMBL24365247 | 0.79 | PARP1 (0.46) | CYP2C19PARP1GAA | |
| SCHEMBL31561934 | 0.78 | FKBP1A (0.49) | — | |
| SCHEMBL22208166 | 0.78 | GBA1 (0.50) | SIGMAR1HTR1A | |
| SCHEMBL14155712 | 0.78 | SIGMAR1 (0.42) | SIGMAR1GAA | |
| SCHEMBL28041981 | 0.77 | HPGD (0.42) | SIGMAR1CYP2C19PARP1GAA | |
| SCHEMBL28041842 | 0.77 | RGS4 (0.41) | SIGMAR1CYP2C19PARP1GAA | |
| SCHEMBL20169541 | 0.77 | KMT2A (0.45) | SIGMAR1CYP2C19PARP1GAA | |
| SCHEMBL14034000 | 0.77 | PARP1 (0.39) | SIGMAR1CYP2C19PARP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103288824-B | Tetrahydropyridine Pyridione derivatives, its preparation method and application | SHANGHAI NORMAL UNIVERSITY (CN) | 2015-12-09 | — | — | CN | disclosed |