Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 3/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL381174 | 0.87 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BADORA3CDK1 | |
| SCHEMBL12417532 | 0.83 | CDK1 (0.60) | ADORA2AADORA1ADORA2BCDK1CCNB1 | |
| SCHEMBL24474439 | 0.82 | CDK1 (0.58) | ADORA2AADORA1ADORA2BADORA3CDK1 | |
| SCHEMBL16501377 | 0.78 | CDK1 (0.43) | ADORA2AADORA1ADORA2BADORA3CDK1 | |
| SCHEMBL380389 | 0.77 | ADORA2A (0.57) | ADORA2AADORA1ADORA2BCDK1CCNB1 | |
| SCHEMBL6153383 | 0.77 | PDE4A (0.57) | ADORA2AADORA1ADORA2BALDH1A1TLR7 | |
| SCHEMBL23420769 | 0.76 | ALDH1A1 (0.47) | ADORA2AADORA1ADORA2BADORA3CDK1 | |
| SCHEMBL6153440 | 0.76 | PDE4A (0.56) | ADORA2AADORA1ADORA2BALDH1A1TLR7 | |
| SCHEMBL16501384 | 0.75 | CYP1A2 (0.48) | ADORA2AADORA1ADORA2BADORA3CDK1 | |
| SCHEMBL16501383 | 0.75 | ADORA2A (0.38) | ADORA2AADORA1ADORA2BADORA3CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0457773-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-10 | — | — | EP | claimed |
| EP-0383759-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-17 | — | — | EP | disclosed |
| EP-0383759-A1 | N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | Whitby Research Incorporated (US) | 1990-08-29 | — | — | EP | disclosed |
| WO-1988008303-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | NELSON RESEARCH AND DEVELOPMENT COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |