Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 20/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3377531 | 0.86 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL15169499 | 0.86 | ADORA1 (0.87) | ADORA1ADORA2AADORA2BADORA3 | |
| Hydrochloric Acid SCHEMBL252589 | 0.85 | ADORA1 (0.98) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL3371137 | 0.85 | ADORA1 (0.77) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL244002 | 0.83 | ADORA1 (0.79) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL245416 | 0.81 | ADORA1 (0.86) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL3368591 | 0.80 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL243994 | 0.76 | ADORA1 (0.66) | ADORA1ADORA2AADORA2B | |
| SCHEMBL244063 | 0.76 | ADORA1 (0.77) | ADORA1ADORA2AADORA2B | |
| SCHEMBL3327352 | 0.74 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |