Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.47 |
| ▸ | GRM5 | P41594 | 5/20 | 0.41 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL5201681 | 0.92 | PDE10A (0.47) | PDE10AGRM5ACSS2LMNASMN1; SMN2 | |
| SCHEMBL5204681 | 0.92 | PDE10A (0.42) | PDE10AGRM5ACSS2 | |
| SCHEMBL5207920 | 0.91 | PDE10A (0.51) | PDE10AGRM5ACSS2LMNASMN1; SMN2 | |
| SCHEMBL5205841 | 0.86 | PDE10A (0.43) | PDE10AGRM5ACSS2LMNASMN1; SMN2 | |
| SCHEMBL5199075 | 0.82 | GRM5 (0.47) | GRM5ACSS2LMNASMN1; SMN2NPC1 | |
| SCHEMBL4908948 | 0.79 | ACSS2 (0.41) | PDE10AGRM5ACSS2LMNASMN1; SMN2 | |
| SCHEMBL5201458 | 0.77 | PDE10A (0.47) | PDE10AGRM5NPC1RAB9A | |
| SCHEMBL5204946 | 0.77 | PDE10A (0.52) | PDE10AGRM5LMNASMN1; SMN2NPC1 | |
| SCHEMBL5202051 | 0.76 | PDE10A (0.56) | PDE10AGRM5SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2828458 | 0.75 | ACSS2 (0.36) | GRM5ACSS2LMNASMN1; SMN2NPC1 |
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 4 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 |
| 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 |