Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14923240 | 1.00 | IRAK4 (0.36) | IRAK4BRD4ATAD2NOS3NOS1 | |
| SCHEMBL608254 | 0.86 | IRAK4 (0.35) | IRAK4BRD4ATAD2NOS3NOS1 | |
| SCHEMBL604633 | 0.86 | IRAK4 (0.35) | IRAK4BRD4ATAD2NOS3NOS1 | |
| SCHEMBL10268334 | 0.85 | IRAK4 (0.41) | IRAK4BRD4ATAD2NOS3NOS1 | |
| SCHEMBL10263823 | 0.85 | IRAK4 (0.41) | IRAK4BRD4ATAD2NOS3NOS1 | |
| SCHEMBL604347 | 0.84 | MAPT (0.42) | IRAK4GAASMN1; SMN2 | |
| SCHEMBL605385 | 0.84 | MAPT (0.42) | IRAK4GAASMN1; SMN2 | |
| SCHEMBL604348 | 0.84 | MAPT (0.42) | IRAK4GAASMN1; SMN2 | |
| SCHEMBL10264748 | 0.78 | IRAK4 (0.41) | IRAK4HRH3CHRM2CHRM4CHRM5 | |
| SCHEMBL3004547 | 0.75 | IRAK4 (0.39) | IRAK4BRD4ATAD2NOS3NOS1 |
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-2004182-B1 | BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE | GLAXO GROUP LTD (GB) | 2013-05-08 | — | — | EP | disclosed |