Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8990654 | 0.90 | ALDH1A1 (0.45) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990583 | 0.89 | ADORA2A (0.53) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990683 | 0.84 | ADORA2A (0.52) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990531 | 0.69 | ADORA3 (0.45) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL26964863 | 0.68 | ADORA2A (0.81) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990692 | 0.66 | HPGD (0.47) | ALDH1A1HSD17B10MAPK1SMN1; SMN2TP53 | |
| SCHEMBL8990565 | 0.63 | ADORA2A (0.53) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990890 | 0.63 | ADORA2A (0.53) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990541 | 0.63 | ADORA2A (0.50) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 | |
| SCHEMBL8990567 | 0.61 | ADORA2A (0.44) | ADORA2AADORA1ALDH1A1ADORA2BADORA3 |
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-5500428-A | Furyl-substituted purines and adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-03-19 | — | — | US | disclosed |
| US-5300509-A | Adenosine antagonists for treating cardiovascular disorders, vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-04-05 | — | — | US | disclosed |
| EP-0544445-A2 | Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |