Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 11/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | GRM3 | Q14832 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9938224 | 0.88 | CYP1A2 (0.64) | CYP1A2GRM5GRM3 | |
| SCHEMBL16682680 | 0.78 | CDC7 (0.51) | CYP1A2GRM5CDC7 | |
| SCHEMBL9938602 | 0.78 | GRM5 (0.63) | CYP1A2GRM5GRM3 | |
| SCHEMBL9941087 | 0.78 | CDC7 (0.58) | CYP1A2GRM5CDC7GRM3 | |
| SCHEMBL9937635 | 0.76 | CYP1A2 (0.50) | CYP1A2GRM5GRM3 | |
| SCHEMBL9941303 | 0.76 | GRM5 (0.59) | CYP1A2GRM5CDC7GRM3 | |
| SCHEMBL9936692 | 0.76 | CYP1A2 (0.49) | CYP1A2GRM5CDC7GRM3 | |
| SCHEMBL9938319 | 0.75 | GRM5 (0.51) | CYP1A2GRM5GRM3 | |
| SCHEMBL9937873 | 0.75 | GRM5 (0.62) | CYP1A2GRM5GRM3 | |
| SCHEMBL17334343 | 0.75 | CDC7 (0.48) | CDC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651222-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |