Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204048 | 0.86 | PDE10A (0.47) | PDE10AACSS2GRM5SMN1; SMN2LMNA | |
| SCHEMBL5201681 | 0.86 | PDE10A (0.47) | PDE10AACSS2GRM5SMN1; SMN2LMNA | |
| SCHEMBL5207920 | 0.83 | PDE10A (0.51) | PDE10AACSS2GRM5SMN1; SMN2LMNA | |
| SCHEMBL5204681 | 0.80 | PDE10A (0.42) | PDE10AACSS2GRM5 | |
| SCHEMBL4908948 | 0.77 | ACSS2 (0.41) | PDE10AACSS2GRM5SMN1; SMN2LMNA | |
| SCHEMBL4906651 | 0.74 | AURKA (0.41) | GRM5CYP1A2SMN1; SMN2IRAK4CYP3A4 | |
| SCHEMBL5199075 | 0.71 | GRM5 (0.47) | ACSS2GRM5SMN1; SMN2LMNANPC1 | |
| SCHEMBL5204946 | 0.71 | PDE10A (0.52) | PDE10AGRM5SMN1; SMN2LMNANPC1 | |
| SCHEMBL5265918 | 0.70 | PDE10A (0.54) | PDE10AGRM5SMN1; SMN2LMNANPC1 | |
| SCHEMBL5202051 | 0.68 | PDE10A (0.56) | PDE10AGRM5SMN1; SMN2NPC1RAB9A |
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-1858854-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006094639-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | disclosed |