Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | GRK2 | P25098 | 3/20 | 0.42 |
| ▸ | GRK1 | Q15835 | 2/20 | 0.41 |
| ▸ | GRK5 | P34947 | 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 | |
|---|---|---|---|---|
| SCHEMBL30669830 | 0.79 | GRK2 (0.69) | ATMGRK2GRK1GRK5 | |
| SCHEMBL28627775 | 0.79 | GRK2 (0.69) | ATMGRK2GRK1GRK5 | |
| SCHEMBL28113770 | 0.78 | ALK (0.60) | ADORA2AMAPK14ALKHDAC6MAP4K4 | |
| SCHEMBL28113777 | 0.75 | ROS1 (0.49) | ALKATMMAP4K4TNIKMKNK1 | |
| SCHEMBL3525336 | 0.74 | ADORA2A (0.51) | ADORA2AMAPK14GRK2 | |
| SCHEMBL29195899 | 0.74 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL30862012 | 0.74 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL4483047 | 0.74 | MAPK14 (0.58) | ADORA2AMAPK14HDAC6 | |
| SCHEMBL28113781 | 0.73 | PIK3CD (0.52) | ALKATMHDAC6MAP4K4TNIK | |
| SCHEMBL29195922 | 0.72 | ADORA2A (0.84) | ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083708-A | 2 aminopyrazole derivatives containing 2 pyridone ring side chains and preparation and application | 浙江大学 | 2016-11-09 | — | — | CN | claimed |
| CN-106083708-A | 2 aminopyrazole derivatives containing 2 pyridone ring side chains and preparation and application | 浙江大学 | 2016-11-09 | — | — | CN | disclosed |