Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 18/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7758386 | 0.88 | ADORA3 (0.48) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7755140 | 0.87 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7758347 | 0.87 | ADORA3 (0.48) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7761664 | 0.85 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7759707 | 0.84 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7760157 | 0.84 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7758998 | 0.84 | ADORA2A (0.45) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7758355 | 0.84 | ADORA3 (0.56) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7758361 | 0.81 | TP53 (0.44) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL7755160 | 0.79 | ADORA2B (0.44) | ADORA3ADORA1ADORA2AADORA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |