Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 17/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 16/20 | 0.52 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990565 | 0.92 | ADORA2A (0.53) | ADORA2AADORA2BADORA1TMIGD3ADORA3 | |
| SCHEMBL8990534 | 0.89 | ADORA2A (0.65) | ADORA2AADORA2BADORA1TMIGD3ADORA3 | |
| SCHEMBL8990507 | 0.85 | ADORA2A (0.67) | ADORA2AADORA2BADORA1TMIGD3ADORA3 | |
| SCHEMBL8990684 | 0.82 | ADORA2A (0.65) | ADORA2AADORA2BADORA1TMIGD3ADORA3 | |
| SCHEMBL8990847 | 0.78 | ADORA2A (0.67) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL8990676 | 0.70 | DHFR (0.43) | ADORA2AADORA2BADORA1ADORA3KDM4E | |
| SCHEMBL5161742 | 0.70 | ADORA2A (0.85) | ADORA2AADORA2BADORA1TMIGD3ADORA3 | |
| SCHEMBL8990761 | 0.70 | APP (0.51) | ADORA2AADORA2BADORA1TMIGD3ADORA3 | |
| SCHEMBL26964863 | 0.69 | ADORA2A (0.81) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL5359590 | 0.69 | ADORA2A (0.87) | ADORA2AADORA2BADORA1TMIGD3ADORA3 |
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 |