Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1324980 | 0.79 | — | — | |
| SCHEMBL1476744 | 0.73 | GRM5 (0.37) | HDAC8GRM5PSMD14COPS5ALDH1A1 | |
| SCHEMBL1476624 | 0.71 | GRM5 (0.38) | HDAC8GRM5PSMD14COPS5ALDH1A1 | |
| SCHEMBL23079819 | 0.70 | KAT6A (0.43) | GRM5PSMD14COPS5ALDH1A1 | |
| SCHEMBL3346983 | 0.69 | APOBEC3A (0.40) | GRM5 | |
| SCHEMBL17321845 | 0.67 | — | — | |
| SCHEMBL12070461 | 0.67 | KDM4E (0.53) | GRM5ALDH1A1 | |
| SCHEMBL19413652 | 0.66 | KAT6A (0.43) | GRM5PSMD14COPS5ALDH1A1 | |
| SCHEMBL28208954 | 0.65 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL17306787 | 0.64 | CYP1A2 (0.49) | GRM5ALDH1A1 |
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-2699547-A1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143340-A1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-26 | — | — | WO | disclosed |