Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.56 |
| ▸ | PNP | P00491 | 1/20 | 0.53 |
| ▸ | PI4KA | P42356 | 1/20 | 0.52 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.52 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.52 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5723706 | 0.83 | CYP1A2 (0.54) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1640041 | 0.82 | PDE4A (0.69) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6272417 | 0.81 | ALDH1A1 (0.66) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5723726 | 0.80 | CYP1A2 (0.53) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5723947 | 0.80 | CYP1A2 (0.53) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30586356 | 0.80 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30586350 | 0.80 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5724169 | 0.80 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27626391 | 0.79 | CYP1A2 (0.52) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL25543494 | 0.78 | ADORA2A (0.70) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1515970-B1 | ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF | SUMITOMO CHEMICAL CO (JP) | 2006-10-18 | — | — | EP | disclosed |
| US-20060100429-A1 | Alkynylpurine compounds and production methods thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-05-11 | — | — | US | disclosed |
| CN-1662536-A | Alkynylpurine compounds and production methods thereof | SUMITOMO CHEMICAL CO (JP) | 2005-08-31 | — | — | CN | disclosed |
| EP-1515970-A1 | ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF | Sumitomo Chemical Company, Limited (JP) | 2005-03-23 | — | — | EP | disclosed |
| WO-2003106458-A1 | ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2003-12-24 | — | — | WO | 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-20060100429-A1 | Alkynylpurine compounds and production methods thereof | TPMT, IMPDH1, IMPDH2 | CYP1A2 327/4885ALDH1A1 57/4885CYP3A4 696/4885 |
“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.