Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.76 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.76 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9326915 | 0.91 | ADORA3 (0.76) | ADORA2AADORA3ADORA2BADORA1KDM4E | |
| SCHEMBL9327327 | 0.90 | ADORA3 (0.81) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL9325932 | 0.89 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL9325945 | 0.87 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL7829659 | 0.86 | ADORA3 (1.00) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL9327042 | 0.85 | ADORA2A (0.81) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL9328921 | 0.85 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL9328873 | 0.83 | ADORA3 (0.81) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL9328695 | 0.83 | ADORA2A (0.81) | ADORA2AADORA3ADORA2BADORA1KDM4E | |
| SCHEMBL9328980 | 0.83 | ADORA2A (0.81) | ADORA2AADORA3ADORA2BADORA1 |
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 |