Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 4/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14850867 | 0.88 | GPR52 (0.37) | PIK3CDPIK3CAPIK3CBPIK3CGGPR52 | |
| SCHEMBL7946068 | 0.86 | MAPT (0.40) | GPR52FLT3MKNK1MKNK2JAK2 | |
| SCHEMBL2632548 | 0.82 | CA12 (0.42) | GPR52CDK4CDK2CA12CA1 | |
| SCHEMBL3345496 | 0.81 | KMO (0.45) | NISCHPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL7945899 | 0.81 | APP (0.40) | PIK3CDPIK3CAPIK3CBPIK3CGFLT3 | |
| SCHEMBL7940349 | 0.81 | JAK2 (0.50) | NISCHPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL11320328 | 0.77 | JAK2 (0.40) | GPR52FLT3MKNK1MKNK2JAK2 | |
| SCHEMBL7946636 | 0.75 | ALDH1A1 (0.44) | NISCHCDK4CDK2 | |
| SCHEMBL2632547 | 0.74 | ALDH1A1 (0.51) | HTT | |
| SCHEMBL8038757 | 0.74 | HCRTR1 (0.41) | NISCHPIK3CDPIK3CAPIK3CBPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | WO | disclosed |