Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948678 | 0.89 | ADORA2A (0.41) | ADORA2AADORA3ADORA1ADORA2BALDH1A1 | |
| SCHEMBL6947698 | 0.81 | ADORA3 (0.44) | ADORA2AADORA3ADORA1L3MBTL1ADORA2B | |
| SCHEMBL30052297 | 0.72 | HDAC6 (0.54) | TDP1ADORA2BALDH1A1HSD17B10 | |
| SCHEMBL452417 | 0.72 | HDAC6 (0.54) | TDP1ADORA2BALDH1A1HSD17B10 | |
| SCHEMBL3269745 | 0.71 | ADORA2A (0.70) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL6942344 | 0.66 | ADORA2A (0.46) | ADORA2AADORA3ADORA1TDP1L3MBTL1 | |
| SCHEMBL1692456 | 0.66 | FDPS (0.56) | TDP1ADORA2BALDH1A1KMT2A | |
| SCHEMBL3585422 | 0.66 | MEN1 (0.61) | KMT2A | |
| SCHEMBL3268529 | 0.65 | ADORA2A (0.49) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL11780649 | 0.65 | ADORA3 (0.51) | ADORA2AADORA3ADORA1TDP1L3MBTL1 |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |