Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 4/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9235896 | 0.95 | ADK (0.47) | ADKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9233960 | 0.82 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9232013 | 0.81 | ALDH1A1 (0.47) | TSHRPIK3CD | |
| SCHEMBL8851152 | 0.80 | ADK (0.55) | ADKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9234793 | 0.80 | KHK (0.44) | KHK | |
| SCHEMBL8851226 | 0.80 | TSHR (0.43) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL8851415 | 0.80 | TSHR (0.43) | ADKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9230367 | 0.80 | PIK3CA (0.46) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL10657965 | 0.80 | KHK (0.51) | ADKPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9229772 | 0.79 | PIK3CD (0.42) | PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |