Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
| ▸ | CASR | P41180 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CPN1 | P15169 | 1/20 | 0.30 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13862140 | 0.78 | APLNR (0.34) | IDO1 | |
| SCHEMBL8281102 | 0.78 | APLNR (0.34) | IDO1 | |
| SCHEMBL8257701 | 0.78 | ADRB1 (0.44) | ADRB1ALDH1A1CYP3A4 | |
| SCHEMBL29904599 | 0.78 | MAPKAPK2 (0.36) | ADRB2ADRB1ADRB3MAPKAPK2ALDH1A1 | |
| SCHEMBL2371930 | 0.78 | MAPKAPK2 (0.36) | ADRB2ADRB1ADRB3MAPKAPK2ALDH1A1 | |
| SCHEMBL8281168 | 0.78 | MAPKAPK2 (0.36) | ADRB2ADRB1ADRB3MAPKAPK2ALDH1A1 | |
| SCHEMBL13450829 | 0.78 | MAPKAPK2 (0.36) | ADRB2ADRB1ADRB3MAPKAPK2ALDH1A1 | |
| SCHEMBL24708436 | 0.77 | SLC6A2 (0.32) | — | |
| SCHEMBL30001325 | 0.77 | SLC6A2 (0.32) | — | |
| SCHEMBL8220969 | 0.73 | APLNR (0.36) | — |
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-1622912-B1 | 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2005103055-A1 | PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2005-11-03 | — | — | WO | disclosed |