Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4469992 | 0.87 | PDE1A (0.59) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL4468284 | 0.84 | TP53 (0.60) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL10500751 | 0.84 | ALDH1A1 (0.71) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL4475016 | 0.82 | SMN1; SMN2 (0.52) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL10178175 | 0.78 | LMNA (0.56) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL10501627 | 0.78 | TSHR (0.74) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| Pimefylline SCHEMBL363878 | 0.77 | LMNA (0.70) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| Pimefylline SCHEMBL29974579 | 0.77 | LMNA (0.70) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL11532928 | 0.76 | CYP1A2 (0.54) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 | |
| SCHEMBL6473388 | 0.76 | MAPK1 (0.60) | ALDH1A1ADORA2BLMNASMN1; SMN2RXFP1 |
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 | ALDH1A1 1215/4885ADORA2B 156/4885LMNA 1675/4885 |
“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.