Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.44 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.44 |
| ▸ | GRM5 | P41594 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1797965 | 0.84 | GRM5 (0.51) | NPC1RAB9AGRM5SMN1; SMN2KDM4E | |
| SCHEMBL1797125 | 0.83 | GRM5 (0.49) | NPC1RAB9ACSNK1DCSNK1EGRM5 | |
| SCHEMBL1792969 | 0.77 | GRM5 (0.43) | NPC1RAB9AGRM5SMN1; SMN2KDM4E | |
| SCHEMBL1794198 | 0.76 | GRM5 (0.49) | NPC1RAB9ACSNK1DCSNK1EGRM5 | |
| SCHEMBL1794352 | 0.75 | CYP1A2 (0.47) | NPC1RAB9AGRM5SMN1; SMN2KDM4E | |
| SCHEMBL1796312 | 0.74 | GRM5 (0.55) | NPC1RAB9AGRM5SMN1; SMN2KDM4E | |
| SCHEMBL1797678 | 0.74 | GRM5 (0.55) | NPC1RAB9AGRM5SMN1; SMN2KDM4E | |
| SCHEMBL1797543 | 0.74 | GRM5 (0.49) | NPC1RAB9AGRM5SMN1; SMN2 | |
| SCHEMBL1797531 | 0.73 | GRM5 (0.52) | GRM5MAPT | |
| SCHEMBL1795461 | 0.72 | NPC1 (0.52) | NPC1RAB9AGRM5KDM4ELMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7951824-B2 | 4-aryl-pyridine-2-carboxyamide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-05-31 | — | — | US | disclosed |
| EP-1987003-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093542-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |