Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | PDE9A | O76083 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25167958 | 0.85 | NPSR1 (0.41) | NPSR1TP53MAPTTSHRGAA | |
| SCHEMBL15155889 | 0.85 | EGFR (0.39) | PIK3CDPIK3CAPIK3CBPIK3CGNPSR1 | |
| SCHEMBL16143648 | 0.81 | PIK3CD (0.38) | PIK3CDPIK3CAPIK3CBPIK3CGNPSR1 | |
| SCHEMBL20480742 | 0.81 | PIK3CD (0.38) | PIK3CDPIK3CAPIK3CBPIK3CGNPSR1 | |
| SCHEMBL16341186 | 0.81 | HTR6 (0.46) | — | |
| SCHEMBL15171260 | 0.81 | HTR6 (0.46) | — | |
| SCHEMBL28832955 | 0.79 | TLR7 (0.43) | SMN1; SMN2 | |
| SCHEMBL25226857 | 0.78 | CHRM2 (0.41) | NPSR1TP53MAPTTSHRGAA | |
| SCHEMBL15156332 | 0.78 | NPSR1 (0.36) | NPSR1TP53MAPTTSHRGAA | |
| SCHEMBL15711178 | 0.77 | JAK2 (0.49) | PIK3CD |
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-106279172-A | Purinone compound as inhibitors of kinases | 药品循环有限责任公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104640861-B | Purinone compounds as kinase inhibitors | 药品循环公司 | 2016-08-24 | — | — | CN | disclosed |