Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 20/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL19633060 | 0.90 | GRM2 (0.47) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 | |
| SCHEMBL21084285 | 0.78 | GRM2 (0.51) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 | |
| SCHEMBL20842383 | 0.78 | GRM2 (0.47) | GRM2SLC6A3CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL19632915 | 0.71 | GRM2 (0.48) | GRM2SLC6A3CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL20842355 | 0.70 | GRM2 (0.50) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 | |
| SCHEMBL19632911 | 0.70 | GRM2 (0.52) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 | |
| SCHEMBL749628 | 0.69 | GRM2 (0.77) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 | |
| SCHEMBL19632597 | 0.68 | GRM2 (0.52) | GRM2SLC6A3CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL19633226 | 0.68 | GRM2 (0.52) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 | |
| SCHEMBL19633195 | 0.66 | GRM2 (0.62) | GRM2HTR2ASLC6A3CYP2C9CYP2C19 |
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-2017198180-A1 | FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2017-11-23 | — | — | WO | disclosed |