Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.75 |
| ▸ | MERTK | Q12866 | 9/20 | 0.47 |
| ▸ | AXL | P30530 | 3/20 | 0.46 |
| ▸ | TYRO3 | Q06418 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4454447 | 0.85 | ADORA2A (1.00) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL4456522 | 0.71 | ADORA2A (0.76) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL4452836 | 0.69 | ADORA2A (1.00) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL4450555 | 0.67 | ADORA2A (0.72) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL4451907 | 0.67 | ADORA2A (1.00) | ADORA2AADORA1KDM4ENPC1ALDH1A1 | |
| SCHEMBL6865260 | 0.65 | ADORA2A (0.54) | ADORA2AADORA1ALDH1A1ADORA3ADORA2B | |
| SCHEMBL3827920 | 0.65 | MERTK (0.49) | ADORA2AADORA1MERTKAXLTYRO3 | |
| SCHEMBL12185246 | 0.64 | MERTK (1.00) | MERTKAXLTYRO3 | |
| SCHEMBL4457057 | 0.63 | ADORA2A (1.00) | ADORA2AADORA1HDAC1HDAC3HDAC2 | |
| SCHEMBL4255900 | 0.63 | FGFR1 (0.49) | ADORA1MERTKKDM4EALDH1A1CYP3A4 |
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 |