Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 11/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4014662 | 0.91 | ADORA2B (0.50) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL5687959 | 0.81 | ADORA2B (0.63) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL1944675 | 0.79 | ADORA2B (0.78) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL1944980 | 0.72 | ADORA2B (0.70) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL4284310 | 0.71 | KDM1A (0.54) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5685513 | 0.71 | ADORA2B (0.59) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL4176128 | 0.71 | ADORA2B (0.62) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL242409 | 0.70 | ADORA2B (0.56) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL1944548 | 0.70 | ADORA2B (0.80) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL3466169 | 0.70 | ADORA2B (0.65) | ADORA2AADORA2BADORA1ADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009157938-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER | CV THERAPEUTICS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |
| WO-2009088518-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER | CV THERAPEUTICS, INC. (US) | 2009-07-16 | — | — | WO | disclosed |