Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2828971 | 0.91 | NPC1 (0.37) | NPC1RAB9AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2827914 | 0.85 | GRM5 (0.47) | NPC1RAB9AABCG2LMNASMN1; SMN2 | |
| SCHEMBL2830183 | 0.85 | NPC1 (0.40) | NPC1RAB9AABCG2ALDH1A1LMNA | |
| SCHEMBL5197589 | 0.84 | GRM5 (0.52) | NPC1RAB9AABCG2ALDH1A1LMNA | |
| SCHEMBL2827684 | 0.82 | GRM5 (0.48) | NPC1RAB9AGRM5NOTUMJAK3 | |
| SCHEMBL2831219 | 0.82 | NPC1 (0.37) | NPC1RAB9AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2825870 | 0.81 | NPC1 (0.39) | NPC1RAB9AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2830402 | 0.81 | MAPT (0.45) | NPC1RAB9AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2827806 | 0.81 | GRM5 (0.44) | NPC1RAB9AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2826783 | 0.80 | GRM5 (0.49) | ABCG2ALDH1A1LMNAGRM5MAPK1 |
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 |