Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 13/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 12/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 3/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3949386 | 0.81 | BRD4 (0.40) | ADORA3ADORA1NOS1NOS2GSK3B | |
| SCHEMBL3949234 | 0.79 | TSPO (0.38) | ADORA3ADORA1 | |
| SCHEMBL3952077 | 0.78 | MAPT (0.38) | ADORA3ADORA1 | |
| SCHEMBL3952234 | 0.78 | ADORA3 (0.36) | ADORA3ADORA1 | |
| SCHEMBL3949356 | 0.78 | ADORA3 (0.39) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL3948904 | 0.78 | PDK2 (0.37) | ADORA3ADORA1 | |
| SCHEMBL30633389 | 0.78 | ADORA3 (0.39) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL3957784 | 0.77 | ADORA2B (0.35) | ADORA3ADORA1NOS1NOS2 | |
| SCHEMBL3951850 | 0.77 | JAK3 (0.40) | ADORA3ADORA1NOS1NOS2 | |
| SCHEMBL3950073 | 0.77 | ADORA3 (0.34) | ADORA3ADORA1 |
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-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |