Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6918725 | 0.90 | GRM5 (0.82) | GRM5CYP1A2CYP3A4 | |
| SCHEMBL6918637 | 0.87 | GRM5 (0.77) | GRM5CYP1A2CYP3A4 | |
| SCHEMBL1982801 | 0.87 | GRM5 (1.00) | GRM5CYP1A2CYP3A4 | |
| SCHEMBL12601635 | 0.85 | GRM5 (0.74) | GRM5CYP1A2CYP3A4 | |
| SCHEMBL6919196 | 0.80 | GRM5 (0.77) | GRM5CYP1A2CYP3A4 | |
| SCHEMBL6918375 | 0.80 | GRM5 (0.77) | GRM5CYP3A4 | |
| SCHEMBL6918556 | 0.80 | GRM5 (1.00) | GRM5CYP3A4 | |
| SCHEMBL6928699 | 0.80 | GRM5 (1.00) | GRM5CYP1A2CYP3A4 | |
| SCHEMBL6918671 | 0.79 | GRM5 (0.67) | GRM5CYP3A4 | |
| SCHEMBL6918399 | 0.79 | GRM5 (1.00) | GRM5 |
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-2011035209-A1 | SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSTIY (US) | 2011-03-24 | — | — | WO | disclosed |