Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093584 | 0.80 | ADORA3 (0.46) | ADORA2AADORA1ADORA3ADORA2BPTGS1 | |
| SCHEMBL22349826 | 0.74 | ALDH1A1 (0.49) | ADORA2AADORA1ADORA3ADORA2BPTGS1 | |
| SCHEMBL7096791 | 0.74 | ADORA2A (0.48) | ADORA2AADORA1ADORA3ADORA2BSIRT1 | |
| SCHEMBL12597255 | 0.71 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL10201593 | 0.70 | KMT2A (0.48) | PTGS1HSD17B10CACNA1BAPBA1 | |
| SCHEMBL5903914 | 0.69 | HDAC1 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5904047 | 0.69 | HDAC1 (0.80) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7092230 | 0.68 | ALDH1A1 (0.51) | HDAC1HDAC7ADORA2AADORA1ADORA3 | |
| SCHEMBL7090220 | 0.66 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL28209079 | 0.65 | PTGS1 (0.49) | ADORA2AADORA1ADORA2BPTGS1HSD17B10 |
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-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |