Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 9/20 | 0.52 |
| ▸ | CDK2 | P24941 | 8/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | JAK2 | O60674 | 4/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | CASR | P41180 | 4/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893001 | 0.90 | AURKA (0.54) | AURKACDK2MAPK1JAK2JAK3 | |
| SCHEMBL16893094 | 0.89 | AURKA (0.54) | AURKACDK2MAPK1JAK2JAK3 | |
| SCHEMBL16893145 | 0.87 | AURKA (0.51) | AURKACDK2MAPK1JAK2JAK3 | |
| SCHEMBL6999084 | 0.86 | AURKA (0.64) | AURKACDK2MAPK1CASR | |
| SCHEMBL16893089 | 0.80 | AURKA (0.75) | AURKACDK2MAPK1 | |
| SCHEMBL16893050 | 0.79 | AURKA (0.63) | AURKACDK2MAPK1 | |
| SCHEMBL16893023 | 0.78 | AURKA (0.54) | AURKACDK2MAPK1JAK2JAK3 | |
| SCHEMBL16892980 | 0.77 | AURKA (0.65) | AURKACDK2MAPK1 | |
| SCHEMBL16892999 | 0.76 | AURKA (0.64) | AURKACDK2MAPK1 | |
| SCHEMBL16893129 | 0.76 | CNR1 (0.41) | AURKACDK2MAPK1CASRCNR1 |
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 |