Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 2/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ROS1 | P08922 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL2827187 | 0.87 | LCK (0.45) | GRM5LCKALDH1A1SORT1JAK2 | |
| SCHEMBL2829458 | 0.83 | CHRNB2 (0.42) | CHRNB2CHRNA4GRM5CHRNB4CHRNA3 | |
| SCHEMBL2826800 | 0.82 | CHRNB2 (0.35) | CHRNB2CHRNA4GRM5CHRNB4CHRNA3 | |
| SCHEMBL2828918 | 0.80 | GRM5 (0.44) | CHRNB2CHRNA4GRM5LMNAHTT | |
| SCHEMBL2827794 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4GRM5CHRNB4CHRNA3 | |
| SCHEMBL2830251 | 0.80 | CHRNB2 (0.40) | CHRNB2CHRNA4GRM5CHRNB4CHRNA3 | |
| SCHEMBL2826420 | 0.78 | LMNA (0.47) | HDAC6ALDH1A1LMNAHTT | |
| SCHEMBL2829479 | 0.78 | NPC1 (0.43) | CHRNB2CHRNA4GRM5HDAC3HDAC1 | |
| SCHEMBL2829552 | 0.77 | RAB9A (0.47) | GRM5LMNA | |
| SCHEMBL2825994 | 0.77 | CHRNB2 (0.40) | CHRNB2CHRNA4GRM5CHRNB4CHRNA3 |
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 |