Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4466093 | 0.88 | PDE1A (0.56) | HTR7HTR6ABL1RIN1ALDH1A1 | |
| SCHEMBL4458227 | 0.88 | HTR7 (0.59) | HTR7HTR6ABL1RIN1ALDH1A1 | |
| SCHEMBL4461586 | 0.84 | ABL1 (0.58) | HTR7HTR6ABL1RIN1ALDH1A1 | |
| SCHEMBL2626922 | 0.82 | HTR7 (0.63) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL1810048 | 0.78 | HTR7 (0.84) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL11150077 | 0.78 | HTR7 (0.58) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL458792 | 0.78 | HTR7 (0.63) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL29375465 | 0.78 | HTR7 (0.63) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2290149 | 0.77 | HTR7 (0.65) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL12804036 | 0.77 | HTR7 (0.62) | HTR7HTR6ALDH1A1ADORA2BSMN1; SMN2 |
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 2 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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 | HTR7 120/4885HTR6 510/4885ABL1 3386/4885 |
“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.