Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 13/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8577877 | 0.90 | ADORA2B (0.60) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8576500 | 0.86 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8576289 | 0.85 | ADORA3 (0.56) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8576493 | 0.85 | ADORA2A (0.59) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8577867 | 0.83 | ADORA3 (0.57) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8579493 | 0.83 | ADORA3 (0.60) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8576828 | 0.83 | ADORA3 (0.57) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8579688 | 0.83 | ADORA3 (0.60) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8578138 | 0.83 | ADORA3 (0.56) | ADORA3ADORA2AADORA2BADORA1KMT2A | |
| SCHEMBL8579260 | 0.83 | ADORA3 (0.56) | ADORA3ADORA2AADORA2BADORA1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5719279-A | CHOLINOMIMETICS | BOEHRINGER INGELHEIM KG (DE) | 1998-02-17 | — | — | US | disclosed |
| EP-0654033-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |