Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 5/20 | 0.51 |
| ▸ | CA9 | Q16790 | 5/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL8281254 | 0.83 | CA12 (0.54) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL12021773 | 0.81 | CA12 (0.48) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL8226801 | 0.81 | CA12 (0.51) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL8221285 | 0.79 | CA12 (0.47) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL1360325 | 0.75 | CA12 (0.62) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL10263007 | 0.75 | CA12 (0.57) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL27436341 | 0.75 | GSK3B (0.46) | TP53HSD17B10SMN1; SMN2NPC1PKM | |
| SCHEMBL2405220 | 0.74 | CA12 (0.62) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL17768018 | 0.73 | CA12 (0.50) | CA12CA2CA9CA1LRRK2 | |
| SCHEMBL10263073 | 0.73 | CA12 (0.47) | CA12CA2CA9CA1LRRK2 |
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-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 |
| 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 |