Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 10/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10503313 | 0.92 | KHK (0.45) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2459852 | 0.89 | PDE4A (0.47) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10775159 | 0.89 | PDE4A (0.44) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502535 | 0.88 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502180 | 0.88 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502331 | 0.88 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502095 | 0.88 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10660874 | 0.86 | TSHR (0.42) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10663555 | 0.84 | KHK (0.40) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10659558 | 0.84 | HTR2C (0.39) | KHKHTR2APDE4APDE4BPDE4C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4728646-A | ANTITHROMBOTICS | DR. KARL THOMAE GMBH (DE) | 1988-03-01 | — | — | US | disclosed |
| US-4690923-A | ANTITHROMBOTICS | KARL THOMAE GMBH (DE) | 1987-09-01 | — | — | US | disclosed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | disclosed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |