Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | PDE8B | O95263 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8643855 | 0.77 | ADORA1 (0.46) | CDK1ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL8647801 | 0.76 | DHFR (0.46) | CDK1ADORA2AADORA2B | |
| SCHEMBL12417532 | 0.73 | CDK1 (0.60) | CDK1ADORA2AADORA1ADORA2BCCNB1 | |
| SCHEMBL9480979 | 0.73 | ADORA2A (0.55) | CDK1ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL381174 | 0.72 | ADORA2A (0.56) | CDK1ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL8647716 | 0.72 | CDK1 (0.52) | CDK1ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL380389 | 0.71 | ADORA2A (0.57) | CDK1ADORA2AADORA1ADORA2BCCNB1 | |
| SCHEMBL8650981 | 0.70 | CDK1 (0.46) | CDK1ADORA2AADORA1ADORA2BIKBKB | |
| SCHEMBL8647867 | 0.69 | HSP90AA1 (0.44) | CDK1ADORA2AADORA1 | |
| SCHEMBL130527 | 0.67 | CDK1 (0.64) | CDK1ADORA2AADORA1ADORA2BADORA3 |
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-0383759-B1 | N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | DISCOVERY THERAPEUTICS INC (US) | 1998-09-09 | — | — | EP | disclosed |
| 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 |