Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.66 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.54 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.54 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27600387 | 0.91 | LMNA (0.58) | ADORA1SIRT1SIRT3SIRT5LMNA | |
| SCHEMBL555828 | 0.88 | ADORA1 (0.63) | ADORA1ADORA2AADORA3PDE5AADORA2B | |
| SCHEMBL27600589 | 0.87 | LMNA (0.62) | LMNATSHRPOLBHIF1A | |
| SCHEMBL1947774 | 0.86 | MAPT (0.54) | ADORA1ADORA2AADORA3PDE5ALMNA | |
| SCHEMBL27582891 | 0.85 | LMNA (0.57) | ADORA2AADORA3LMNATSHRADORA2B | |
| SCHEMBL28749929 | 0.85 | HIF1A (0.62) | ADORA3LMNATSHRADORA2BPOLB | |
| SCHEMBL555395 | 0.82 | HTT (0.60) | LMNATSHRPOLBHIF1A | |
| SCHEMBL27582885 | 0.82 | LMNA (0.73) | LMNATSHR | |
| SCHEMBL27600370 | 0.82 | LMNA (0.57) | LMNATSHR | |
| SCHEMBL27583016 | 0.82 | CYP1A2 (0.58) | LMNATSHRCNOT7 |
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 |