Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.77 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.77 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
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 | 0.87 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL9325869 | 0.87 | ADORA2A (0.76) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL29853688 | 0.86 | ADORA2A (0.85) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL9327307 | 0.85 | ADORA2A (0.72) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL21936929 | 0.85 | ADORA2A (0.74) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL1754980 | 0.84 | ADORA2A (0.83) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL9327002 | 0.84 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL21832275 | 0.84 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL9327262 | 0.84 | ADORA2A (0.73) | ADORA2AADORA1ADORA3ADORA2BHDAC1 | |
| SCHEMBL9325983 | 0.83 | ADORA2A (0.73) | ADORA2AADORA1ADORA3ADORA2BHDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356894-A | Adenosine antagonists | SYNGENTA LIMITED (GB) | 1994-10-18 | — | — | US | disclosed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | disclosed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |