Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.48 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971689 | 0.90 | SIRT1 (0.46) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7758390 | 0.82 | PDE4A (0.59) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7759061 | 0.82 | ADORA1 (0.53) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7759760 | 0.81 | SIRT1 (0.52) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7760152 | 0.80 | SIRT1 (0.59) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7759764 | 0.77 | SIRT1 (0.59) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7759770 | 0.77 | SIRT1 (0.59) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7969305 | 0.77 | ADORA1 (0.67) | ADORA2BADORA1ADORA2A | |
| SCHEMBL7759043 | 0.76 | ADORA1 (0.53) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL7758394 | 0.75 | SIRT1 (0.51) | ADORA2BSIRT1SIRT3SIRT5ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | claimed |
| EP-1084123-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2001-03-21 | — | — | EP | disclosed |
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |
| WO-1999054331-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |