Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 6/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 0.41 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.41 |
| ▸ | BRD2 | P25440 | 1/20 | 0.41 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4879863 | 0.94 | NPC1 (0.40) | NPC1PDE4APDE4BPDE4DEPHX2 | |
| SCHEMBL4872296 | 0.94 | NPC1 (0.40) | NPC1PDE4APDE4BPDE4DEPHX2 | |
| SCHEMBL4879896 | 0.88 | PDE4B (0.49) | NPC1PDE4APDE4BPDE4DBRD4 | |
| SCHEMBL4879890 | 0.88 | PDE4B (0.49) | NPC1PDE4APDE4BPDE4DBRD4 | |
| SCHEMBL4770078 | 0.86 | BRD4 (0.46) | NPC1PDE4APDE4BPDE4DBRD4 | |
| SCHEMBL4882421 | 0.86 | USP30 (0.47) | NPC1JAK2JAK1RAB9A | |
| SCHEMBL4770418 | 0.77 | DHODH (0.49) | NPC1RAB9ASMN1; SMN2KMT2AAURKA | |
| SCHEMBL3022489 | 0.73 | EGFR (0.44) | PDE4APDE4BPDE4DJAK2JAK1 | |
| SCHEMBL3022482 | 0.73 | EGFR (0.44) | PDE4APDE4BPDE4DJAK2JAK1 | |
| SCHEMBL3026227 | 0.71 | CHRNA7 (0.44) | JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1922318-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS PDE4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND' IMMUNE DISEASES | AstraZeneca AB (SE) | 2008-05-21 | — | — | EP | disclosed |
| WO-2007004958-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS PDE4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND' IMMUNE DISEASES | ASTRAZENECA AB (SE) | 2007-01-11 | — | — | WO | disclosed |