Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.81 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.81 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.81 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7834626 | 0.90 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL9325947 | 0.86 | ADORA2A (0.77) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL9329053 | 0.85 | ADORA2A (0.69) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL1754980 | 0.85 | ADORA2A (0.83) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL29853688 | 0.85 | ADORA2A (0.85) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL23928118 | 0.85 | ADORA2A (0.73) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL9583900 | 0.85 | ADORA2A (0.74) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL9429532 | 0.85 | ADORA2A (0.60) | ADORA2AADORA3ADORA1ADORA2BHDAC1 | |
| SCHEMBL9327402 | 0.83 | ADORA2A (0.78) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL30676978 | 0.83 | ADORA2A (0.69) | ADORA2AADORA3ADORA1ADORA2BHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5246932-A | Adenosine antagonist such as vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-09-21 | — | — | US | disclosed |
| EP-0515108-A2 | Azolo (1,3,5) triazines as adenosine antagonists | ZENECA LIMITED (GB) | 1992-11-25 | — | — | EP | disclosed |