Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 5/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2830071 | 0.89 | GRM5 (0.39) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2827806 | 0.88 | GRM5 (0.44) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2827684 | 0.85 | GRM5 (0.48) | NPC1RAB9AGRM5 | |
| SCHEMBL2825870 | 0.84 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL5197860 | 0.84 | GRM5 (0.49) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL2831219 | 0.83 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL2829041 | 0.81 | GRM5 (0.54) | GRM5 | |
| SCHEMBL2826560 | 0.80 | GRM5 (0.46) | NPC1RAB9AMAPTGRM5 | |
| SCHEMBL2826318 | 0.79 | GRM5 (0.54) | NPC1RAB9AMAPTGRM5 | |
| SCHEMBL2829284 | 0.79 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |