Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9233825 | 1.00 | CDK1 (0.47) | CDK1ADORA2AADORA1BRD4CCNB1 | |
| SCHEMBL7437563 | 0.77 | ADORA2A (0.31) | ADORA2A | |
| SCHEMBL9083885 | 0.77 | ADORA2A (0.31) | ADORA2A | |
| SCHEMBL9082502 | 0.77 | ADORA2A (0.40) | ADORA2AADORA1ADORA2B | |
| SCHEMBL7433611 | 0.76 | PNP (0.47) | ADORA2AADORA2B | |
| SCHEMBL3089517 | 0.75 | CDK1 (0.54) | CDK1ADORA2AADORA1 | |
| SCHEMBL6270232 | 0.74 | CDK1 (0.53) | CDK1ADORA2AADORA1 | |
| SCHEMBL7205266 | 0.73 | ADORA2A (0.63) | ADORA2AADORA1ADORA2B | |
| SCHEMBL6153485 | 0.72 | ADORA1 (0.36) | ADORA2AADORA1 | |
| SCHEMBL7437584 | 0.72 | PDE8B (0.31) | — |
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 11 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-0457773-A1 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, Inc. (US) | 1991-11-27 | — | — | EP | claimed |
| WO-1990009178-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, INC. (US) | 1990-08-23 | — | — | WO | claimed |
| EP-0778836-B1 | SUBSTITUTED 9-ALKYLADENINES | ADERIS PHARMACEUTICALS INC (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1602657-A2 | Substituted 9-alkyladenines | Discovery Therapeutics, Inc. (US) | 2005-12-07 | — | — | EP | disclosed |
| EP-0778836-A4 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS INC (US) | 1998-02-04 | — | — | EP | disclosed |
| EP-0778836-A1 | SUBSTITUTED 9-ALKYLADENINES | Discovery Therapeutics, Inc. (US) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996006845-A1 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS, INC. (US) | 1996-03-07 | — | — | WO | disclosed |
| EP-0457773-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-10 | — | — | EP | disclosed |
| EP-0457773-A1 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, Inc. (US) | 1991-11-27 | — | — | EP | disclosed |
| WO-1990009178-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, INC. (US) | 1990-08-23 | — | — | WO | disclosed |