Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.80 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.80 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | GMNN | O75496 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL8580754 | 0.91 | ADORA3 (0.85) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL787893 | 0.89 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL8576945 | 0.89 | ADORA2A (0.82) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL8576983 | 0.87 | ADORA2A (0.79) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| 1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 | 0.87 | ADORA1 (1.00) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL4623484 | 0.86 | ADORA1 (1.00) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL8577955 | 0.85 | ADORA3 (0.81) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL8576751 | 0.84 | ADORA2A (0.74) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL9402220 | 0.84 | ADORA2B (0.74) | ADORA2AADORA2BADORA1ADORA3MEN1 | |
| SCHEMBL9402188 | 0.83 | ADORA2A (0.73) | ADORA2AADORA2BADORA1ADORA3MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994009787-A1 | SYNERGISTIC COMBINATION FOR THE THERAPY OF DEGENERATIVE AGEING DISEASES CONTAINING AN ADENOSINE ANTAGONIST AND A CHOLINOMIMETIC | BOEHRINGER INGELHEIM KG (DE) | 1994-05-11 | — | — | WO | claimed |
| 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-1994009787-A1 | SYNERGISTIC COMBINATION FOR THE THERAPY OF DEGENERATIVE AGEING DISEASES CONTAINING AN ADENOSINE ANTAGONIST AND A CHOLINOMIMETIC | BOEHRINGER INGELHEIM KG (DE) | 1994-05-11 | — | — | WO | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |