Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 8/20 | 0.51 |
| ▸ | ADK | P55263 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CETP | P11597 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | OGA | O60502 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 3/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10663654 | 0.90 | KHK (0.62) | KHKACHEPDE4APDE4BPDE4C | |
| SCHEMBL11100844 | 0.89 | KHK (0.51) | KHKACHECETPESR1ESR2 | |
| SCHEMBL10659703 | 0.87 | KHK (0.50) | KHKCETPESR1ESR2PDE4A | |
| SCHEMBL9235896 | 0.85 | ADK (0.47) | KHKADKACHEOGAPDE4A | |
| SCHEMBL8851160 | 0.83 | ADK (0.54) | ADKACHEOGAPDE4APDE4B | |
| SCHEMBL10661225 | 0.83 | POLB (0.60) | KHKPOLB | |
| SCHEMBL10666797 | 0.82 | POLB (0.43) | KHKACHECETPESR1ESR2 | |
| SCHEMBL10660514 | 0.82 | KHK (0.49) | KHKESR1ESR2PDE4APDE4B | |
| SCHEMBL11028726 | 0.81 | OGA (0.53) | ADKACHEOGAPDE4APDE4B | |
| SCHEMBL9232181 | 0.80 | ADK (0.48) | KHKADKACHEPDE4APDE4B |
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 |