Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 9/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2830183 | 0.84 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL5197589 | 0.84 | GRM5 (0.52) | GRM5NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5200179 | 0.82 | PDE10A (0.50) | GRM5NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL5200364 | 0.81 | GRM5 (0.46) | GRM5NPC1RAB9AGCK | |
| SCHEMBL5199705 | 0.81 | GRM5 (0.70) | GRM5NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL2824774 | 0.79 | CDK4 (0.48) | GRM5NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL5198047 | 0.79 | GRM5 (0.64) | GRM5NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5197860 | 0.77 | GRM5 (0.49) | GRM5NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2828252 | 0.72 | CSNK2A1 (0.35) | NPC1RAB9A | |
| SCHEMBL2829641 | 0.71 | NTRK1 (0.44) | GRM5 |
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-1844044-A1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006074884-A1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-07-20 | — | — | WO | disclosed |