Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.54 |
| ▸ | PDE4A | P27815 | 2/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 10/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL555649 | 0.91 | PDE5A (0.62) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL555312 | 0.90 | ALDH1A1 (0.55) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27600589 | 0.89 | LMNA (0.62) | TSHRLMNAALDH1A1TP53ALOX15 | |
| SCHEMBL27600387 | 0.85 | LMNA (0.58) | TSHRLMNAALDH1A1MAPK1HSD17B10 | |
| SCHEMBL27582891 | 0.84 | LMNA (0.57) | TSHRLMNAADORA3ALDH1A1MAPK1 | |
| SCHEMBL555395 | 0.84 | HTT (0.60) | TSHRLMNAALDH1A1TP53ALOX15 | |
| SCHEMBL27582885 | 0.84 | LMNA (0.73) | TSHRLMNAALDH1A1TP53ALOX15 | |
| SCHEMBL27600370 | 0.83 | LMNA (0.57) | TSHRLMNAALDH1A1TP53ALOX15 | |
| SCHEMBL28749937 | 0.82 | LMNA (0.55) | TSHRLMNAALDH1A1TP53ALOX15 | |
| SCHEMBL28749929 | 0.81 | HIF1A (0.62) | TSHRLMNAADORA3GAAALDH1A1 |
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 |