Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.39 |
| ▸ | PTGFR | P43088 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893141 | 0.89 | NAMPT (0.40) | GSK3BNAMPTPTGFRNPC1RAB9A | |
| SCHEMBL16892977 | 0.86 | AKT3 (0.46) | GSK3BAURKACDK2HDAC2HDAC8 | |
| SCHEMBL16893145 | 0.79 | AURKA (0.51) | AURKACDK2MAPK1JAK2FLT3 | |
| SCHEMBL16893116 | 0.78 | NAMPT (0.38) | GSK3BNAMPTPTGFRMAPK1HDAC2 | |
| SCHEMBL16893017 | 0.77 | ADORA1 (0.46) | GSK3BNAMPTPTGFRPTAFRCDK2 | |
| SCHEMBL16893078 | 0.77 | GSK3B (0.47) | GSK3BNAMPTPTGFRNPC1RAB9A | |
| SCHEMBL16893094 | 0.76 | AURKA (0.54) | AURKACDK2MAPK1JAK2FLT3 | |
| SCHEMBL16893075 | 0.75 | MELK (0.45) | GSK3BNPC1RAB9AMAPK1 | |
| SCHEMBL16893031 | 0.74 | AURKA (0.57) | AURKACDK2MAPK1FLT3 | |
| SCHEMBL16893088 | 0.74 | AURKA (0.52) | AURKACDK2MAPK1HDAC6JAK2 |
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-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |