Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 17/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10194179 | 0.87 | ADORA1 (0.64) | ADORA1ADORA2AADORA3ADORA2BACMSD | |
| SCHEMBL12945818 | 0.86 | ADORA1 (0.55) | ADORA1ADORA2AADORA3ADORA2BSLC6A3 | |
| SCHEMBL10193889 | 0.79 | ADORA1 (0.49) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL10194487 | 0.78 | ADORA1 (0.77) | ADORA1ADORA2AADORA3ADORA2BRET | |
| SCHEMBL13914380 | 0.77 | ADORA1 (0.72) | ADORA1ADORA2AADORA3ADORA2BRET | |
| SCHEMBL8034134 | 0.77 | ADORA1 (0.63) | ADORA1ADORA2AADORA3ADORA2BSLC6A3 | |
| SCHEMBL13914360 | 0.77 | ADORA1 (0.67) | ADORA1ADORA2AADORA3ADORA2BRET | |
| SCHEMBL7900477 | 0.77 | ADORA1 (0.66) | ADORA1RETSLC6A3 | |
| SCHEMBL12910821 | 0.77 | ADORA1 (0.49) | ADORA1ADORA2AADORA3ADORA2BSLC6A3 | |
| SCHEMBL251890 | 0.76 | ALDH1A1 (0.62) | ADORA1ADORA2AADORA3ADORA2BRET |
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-2235011-B1 | SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS | Bayer Pharma AG (DE) | 2012-01-25 | — | — | EP | disclosed |
| WO-2009080197-A1 | SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-02 | — | — | WO | disclosed |