Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15920928 | 0.82 | CES1 (0.61) | CES1ACHECES2MLYCD | |
| SCHEMBL863794 | 0.79 | HDAC1 (0.66) | HDAC1HDAC6CES1ALDH1A1CES2 | |
| SCHEMBL1851154 | 0.79 | CES1 (0.44) | HDAC1HDAC6CES1ACHECA12 | |
| SCHEMBL30351160 | 0.79 | CES1 (0.44) | HDAC1HDAC6CES1ACHECA12 | |
| SCHEMBL19306517 | 0.79 | ACHE (0.46) | CES1ALDH1A1ACHEMLYCD | |
| SCHEMBL24346277 | 0.79 | ALDH1A1 (0.49) | CES1ALDH1A1ACHECA12CA1 | |
| SCHEMBL13885100 | 0.78 | SNCA (0.50) | CES1ACHECES2 | |
| SCHEMBL97816 | 0.78 | HDAC1 (0.63) | HDAC1HDAC6CES1ALDH1A1CES2 | |
| SCHEMBL28662791 | 0.78 | HDAC1 (0.53) | HDAC1HDAC6CES1ACHECES2 | |
| SCHEMBL1627106 | 0.78 | HDAC1 (0.63) | HDAC1HDAC6CES1ALDH1A1CES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745047-B1 | PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2010-03-24 | — | — | EP | disclosed |
| 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 |