Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROS1 | P08922 | 1/20 | 0.49 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23109070 | 0.85 | ROS1 (0.49) | ROS1ALKHTR1DKDRMTOR | |
| SCHEMBL28113781 | 0.78 | PIK3CD (0.52) | ALKPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL28836786 | 0.75 | ADORA2A (0.58) | ALKMAP4K4ATMTNIKMKNK1 | |
| SCHEMBL18914238 | 0.70 | HTR2C (0.49) | ROS1ALKHTR1D | |
| SCHEMBL3658413 | 0.68 | HTR2C (0.44) | HTR1D | |
| SCHEMBL16064395 | 0.68 | HTR2C (0.44) | ROS1ALKHTR1D | |
| SCHEMBL22971668 | 0.67 | HTR2C (0.43) | HTR1D | |
| SCHEMBL23249103 | 0.65 | HTR2C (0.44) | ROS1ALKHTR1DMTOR | |
| SCHEMBL1257460 | 0.64 | PIK3CD (0.73) | PIK3CDMAP4K4TNIKMKNK1MKNK2 | |
| SCHEMBL29740321 | 0.64 | PIK3CD (0.73) | PIK3CDMAP4K4TNIKMKNK1MKNK2 |
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 |