Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.52 |
| ▸ | GRM5 | P41594 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5202081 | 0.87 | PDE10A (0.63) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5202051 | 0.87 | PDE10A (0.56) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5201681 | 0.86 | PDE10A (0.47) | PDE10AGRM5NPC1RAB9AGBA1 | |
| SCHEMBL5200179 | 0.85 | PDE10A (0.50) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5201458 | 0.84 | PDE10A (0.47) | PDE10AGRM5NPC1RAB9A | |
| SCHEMBL5208137 | 0.82 | GRM5 (0.72) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5203880 | 0.80 | PDE10A (0.58) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5200903 | 0.80 | PDE10A (0.55) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12595507 | 0.79 | NPC1 (0.46) | GRM5NPC1RAB9ASMN1; SMN2KCNH2 | |
| SCHEMBL5200277 | 0.79 | PDE10A (0.56) | PDE10AGRM5NPC1RAB9ASMN1; SMN2 |
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 | claimed |
| WO-2006094639-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | claimed |