Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 4/20 | 0.38 |
| ▸ | CALML3 | P27482 | 6/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | BPTF | Q12830 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8251051 | 0.84 | IDH1 (0.38) | MTORCALML3HDAC1HDAC6HDAC8 | |
| SCHEMBL8259871 | 0.84 | CCR1 (0.41) | MTORCALML3HDAC1HDAC6HDAC8 | |
| SCHEMBL13862087 | 0.84 | PIK3CA (0.39) | F10MTORHDAC1HDAC6HDAC8 | |
| SCHEMBL13344776 | 0.78 | F10 (0.45) | F10CALML3 | |
| SCHEMBL6100542 | 0.78 | IDH1 (0.37) | MTORHDAC1HDAC6HDAC8IDH1 | |
| SCHEMBL9845302 | 0.76 | HSP90AA1 (0.40) | IDH1 | |
| SCHEMBL8123321 | 0.75 | SMN1; SMN2 (0.39) | IDH1 | |
| SCHEMBL8125549 | 0.74 | HDAC1 (0.35) | MTORHDAC1HDAC6HDAC8BPTF | |
| SCHEMBL2218750 | 0.74 | NOTUM (0.41) | IDH1 | |
| SCHEMBL8115890 | 0.74 | NOTUM (0.41) | IDH1 |
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 |