Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | PDE4A | P27815 | 3/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.66 |
| ▸ | CNOT7 | Q9UIV1 | 11/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | PARN | O95453 | 1/20 | 0.61 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | PDE1A | P54750 | 1/20 | 0.58 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.58 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL555404 | 0.89 | PDE1A (0.73) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27583105 | 0.88 | CNOT7 (0.78) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28752105 | 0.86 | CNOT7 (0.80) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17786242 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CNOT7TSHRPOLBHIF1A | |
| SCHEMBL27600238 | 0.85 | ALDH1A1 (0.72) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27600252 | 0.83 | ALDH1A1 (0.66) | ALDH1A1CNOT7TSHRPOLBHIF1A | |
| SCHEMBL27583005 | 0.83 | ALDH1A1 (0.69) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27600280 | 0.81 | CNOT7 (0.80) | ALDH1A1CNOT7TSHRPOLBHIF1A | |
| SCHEMBL28752095 | 0.80 | ALDH1A1 (0.75) | ALDH1A1CNOT7TSHRPOLBHIF1A | |
| SCHEMBL27582971 | 0.80 | KDM4E (0.62) | ALDH1A1PDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101293888-B | Xanthine derivative, production and use thereof as a medicament | BOEHRINGER INGELHEIM PHARMA | 2013-09-25 | — | — | CN | disclosed |
| CN-101293888-A | Xanthine derivative, production and use thereof as a medicament | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-10-29 | — | — | CN | disclosed |
| CN-100408579-C | Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-08-06 | — | — | CN | disclosed |
| CN-1492870-A | Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions | ���ָ��Ӣ��ķ�������Ϲ�˾ | 2004-04-28 | — | — | CN | disclosed |