Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 1/20 | 0.61 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.61 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.61 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4461504 | 0.88 | L3MBTL1 (0.58) | PDE1APDE1BPDE1CHTR7HTR1A | |
| SCHEMBL4468785 | 0.87 | HTR7 (0.64) | PDE1APDE1BPDE1CHTR7HTR6 | |
| SCHEMBL29375465 | 0.87 | HTR7 (0.63) | HTR7HTR6HTR1AADRA1DHTR1B | |
| SCHEMBL458792 | 0.87 | HTR7 (0.63) | HTR7HTR6HTR1AADRA1DHTR1B | |
| SCHEMBL4473899 | 0.87 | PDE1A (0.54) | PDE1APDE1BPDE1CHTR7HTR6 | |
| Hydrochloric Acid SCHEMBL2290149 | 0.86 | HTR7 (0.65) | HTR7HTR6HTR1AADRA1DHTR1B | |
| Ammonia Solution, Strong SCHEMBL12804036 | 0.86 | HTR7 (0.62) | HTR7HTR6HTR1AADRA1DHTR1B | |
| SCHEMBL4476464 | 0.86 | PDE1A (0.57) | PDE1APDE1BPDE1CHTR7HTR6 | |
| SCHEMBL4460765 | 0.85 | PDE1A (0.77) | PDE1APDE1BPDE1CHTR7HTR6 | |
| SCHEMBL4480724 | 0.85 | MAPK1 (0.57) | PDE1APDE1BPDE1CHTR7HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7550468-B2 | Theophylline and 3-isobutyl-1 methylxanthine based N-7 substituted derivatives displaying inhibitory activities on PDE-5 phospodiesterase | CHEN ING-JUN | 2009-06-23 | — | — | US | disclosed |
| US-20050209242-A1 | Theophylline and 3-isobutyl-1 methylxanthine based N-7 substituted derivatives displaying inhibitory activities on PDE-5 phospodiesterase | CHEN ING-JUN | 2005-09-22 | — | — | US | disclosed |
| US-20030199693-A1 | Theophylline and 3-isobutyl-1-methylxanthine based N-7 substituted derivatives displaying inhibitory activies on PDE-5 phosphodiesterase | CHEN ING-JUN (TW) | 2003-10-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050209242-A1 | Theophylline and 3-isobutyl-1 methylxanthine based N-7 substituted derivatives displaying inhibitory activities on PDE-5 phospodiesterase | PDE3A, PDE5A, PDE3B | PDE1A 22/4885PDE1B 24/4885PDE1C 27/4885 |
| US-20030199693-A1 | Theophylline and 3-isobutyl-1-methylxanthine based N-7 substituted derivatives displaying inhibitory activies on PDE-5 phosphodiesterase | PDE3A, PDE5A, PDE3B | PDE1A 15/4885PDE1B 18/4885PDE1C 17/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.