Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 11/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP4 | P49662 | 1/20 | 0.37 |
| ▸ | CASP5 | P51878 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10775159 | 0.95 | PDE4A (0.44) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2459852 | 0.95 | PDE4A (0.47) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502180 | 0.94 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502331 | 0.94 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502095 | 0.94 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502535 | 0.94 | USP2 (0.48) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10661287 | 0.92 | KHK (0.41) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10660874 | 0.92 | TSHR (0.42) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10663555 | 0.90 | KHK (0.40) | KHKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10502025 | 0.82 | KHK (0.55) | KHK |
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 |
|---|---|---|---|---|---|---|---|
| EP-0167817-B1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1989-09-20 | — | — | EP | disclosed |
| US-4714698-A | ANTITUMOR, ANTICOAGULANT | DR. KARL THOMAE GMBH (DE) | 1987-12-22 | — | — | US | disclosed |
| EP-0167817-A1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1986-01-15 | — | — | EP | disclosed |