Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 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 | |
|---|---|---|---|---|
| SCHEMBL7664157 | 0.91 | ADORA2B (0.54) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7671642 | 0.79 | ADORA2A (0.42) | ADORA1ADORA2AADORA2BADORA3CCNB2 | |
| SCHEMBL7662113 | 0.78 | ADORA1 (0.51) | ADORA1ADORA2AADORA2BADORA3MEN1 | |
| SCHEMBL7665201 | 0.75 | ADORA2A (0.45) | ADORA2AADORA2BADORA3KMT2A | |
| SCHEMBL7668670 | 0.73 | ADORA2B (0.51) | ADORA1ADORA2AADORA2BADORA3MEN1 | |
| SCHEMBL7269103 | 0.72 | ADORA1 (0.81) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL8203454 | 0.71 | ADORA1 (0.80) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL14051422 | 0.70 | ADORA1 (0.91) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL8203432 | 0.70 | ADORA1 (0.78) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7670431 | 0.68 | ADORA2B (0.54) | ADORA1ADORA2AADORA2BADORA3MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492377-B1 | Imidazotriazolopyrimidines with adenosine-antagonistic activity | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |