Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 10/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 7/20 | 0.40 |
| ▸ | CDK2 | P24941 | 6/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 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 | |
|---|---|---|---|---|
| SCHEMBL16893090 | 0.85 | AURKA (0.45) | MAPK1ADORA1ADORA2AAURKACDK2 | |
| SCHEMBL16893098 | 0.80 | AURKA (0.56) | MAPK1AURKACDK2 | |
| SCHEMBL16893135 | 0.78 | MAPK1 (0.43) | MAPK1AURKACDK2 | |
| SCHEMBL5401943 | 0.75 | ADORA1 (0.47) | ADORA1ADORA2ACDK5CDK5R1CLK1 | |
| SCHEMBL16893029 | 0.74 | AURKA (0.48) | MAPK1AURKACDK2 | |
| SCHEMBL16892979 | 0.73 | MAPK1 (0.58) | MAPK1AURKACDK2 | |
| SCHEMBL16893049 | 0.72 | AURKA (0.63) | MAPK1AURKACDK2 | |
| SCHEMBL16893148 | 0.72 | MAPK1 (0.78) | MAPK1AURKACDK2 | |
| SCHEMBL16893137 | 0.72 | MAPK1 (0.46) | MAPK1AURKACDK2 | |
| SCHEMBL16893021 | 0.71 | MAPK1 (0.57) | MAPK1AURKACDK2 |
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 |