Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 7/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | PNP | P00491 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18250 | 0.84 | PNP (0.66) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL1980960 | 0.83 | PNP (0.64) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL1533551 | 0.76 | MPO (0.54) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL9234454 | 0.75 | PNP (0.49) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL22631570 | 0.75 | PNP (0.55) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL6268535 | 0.74 | ADORA3 (0.60) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL8728431 | 0.74 | MGMT (0.46) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL8606310 | 0.74 | ADORA3 (0.44) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| Hydrochloric Acid SCHEMBL17186506 | 0.73 | PNP (0.53) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL3306010 | 0.73 | ACP1 (0.55) | PDE4APDE4BPDE4CPDE4DADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753668-A | Substituted benzyloxypyrimidines and their inactivation of O6 -alkylguanine-DNA alkyltransferase | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0775142-A1 | SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996004281-A1 | SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-02-15 | — | — | WO | disclosed |