Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.63 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | 0.78 | PDE10A (0.63) | GRM5NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL1800369 | 0.77 | GRM5 (0.63) | GRM5NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL3863984 | 0.77 | GRM5 (1.00) | GRM5NPC1RAB9AALDH1A1 | |
| SCHEMBL5203611 | 0.76 | PDE10A (0.53) | GRM5NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL4907676 | 0.76 | GRM5 (0.50) | GRM5NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL5200903 | 0.75 | PDE10A (0.55) | GRM5NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL5204996 | 0.75 | GRM5 (0.49) | GRM5NPC1RAB9ASMN1; SMN2PDE10A | |
| SCHEMBL5201513 | 0.74 | PDE10A (0.53) | GRM5NPC1RAB9APDE10ANOTUM | |
| SCHEMBL5265918 | 0.74 | PDE10A (0.54) | GRM5NPC1RAB9AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL1761104 | 0.74 | GRM5 (0.56) | GRM5NPC1RAB9AKDM4EALDH1A1 |
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 |