Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9233960 | 0.91 | PDE4A (0.45) | CCNE1CDK2PDE10ARAB9ATHRB | |
| SCHEMBL8852111 | 0.84 | PDE10A (0.44) | PIK3CAPDE10ACYP2D6HRH1KCNH2 | |
| SCHEMBL9235896 | 0.81 | ADK (0.47) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL8851946 | 0.81 | RAB9A (0.50) | PIK3CACCNE1CDK2CCNE2PDE10A | |
| SCHEMBL9234793 | 0.80 | KHK (0.44) | — | |
| SCHEMBL9232181 | 0.80 | ADK (0.48) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9229772 | 0.79 | PIK3CD (0.42) | PIK3CAHRH4 | |
| SCHEMBL9231439 | 0.76 | KHK (0.58) | CCNE1CDK2CCNE2CDK1PDE5A | |
| SCHEMBL9232013 | 0.76 | ALDH1A1 (0.47) | PDE10ATHRBHRH4 | |
| SCHEMBL8851087 | 0.74 | MEN1 (0.46) | PDE4APDE4BPDE4CPDE4DMEN1 |
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 |