Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 13/20 | 0.35 |
| ▸ | CDK2 | P24941 | 11/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893129 | 0.83 | CNR1 (0.41) | AURKACDK2MAPK1 | |
| SCHEMBL16893009 | 0.80 | JUN (0.37) | AURKACDK2MAPK1FLT3JUN | |
| SCHEMBL16893099 | 0.79 | AURKA (0.46) | AURKACDK2MAPK1 | |
| SCHEMBL16893152 | 0.78 | AURKA (0.42) | AURKACDK2MAPK1FLT3JUN | |
| SCHEMBL16893001 | 0.76 | AURKA (0.54) | AURKACDK2MAPK1JAK2FLT3 | |
| SCHEMBL16893110 | 0.75 | AURKA (0.47) | AURKACDK2MAPK1FLT3MAPK10 | |
| SCHEMBL16893127 | 0.75 | AURKA (0.60) | AURKACDK2MAPK1FLT3MAPK10 | |
| SCHEMBL16893128 | 0.75 | AURKA (0.49) | AURKACDK2MAPK1FLT3MAPK10 | |
| SCHEMBL16893109 | 0.74 | MAPK1 (0.37) | AURKACDK2MAPK1JAK2FLT3 | |
| SCHEMBL16893122 | 0.74 | AURKA (0.52) | AURKACDK2MAPK1 |
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 |