Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 16/20 | 0.71 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.71 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL3958757 | 0.90 | ADORA2B (0.73) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL3958761 | 0.83 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL4760108 | 0.82 | ADORA2A (0.74) | ADORA2BADORA1ADORA2A | |
| SCHEMBL14267710 | 0.78 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL4757969 | 0.77 | ADORA2B (0.65) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL8872884 | 0.75 | ADORA2B (0.65) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL10728469 | 0.75 | ADORA2A (0.62) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL4759214 | 0.75 | ADORA2B (0.75) | ADORA2BADORA1ADORA2A | |
| SCHEMBL1781665 | 0.74 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL661108 | 0.74 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AKDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7335655-B2 | 8-heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2008-02-26 | — | — | US | disclosed |
| US-7335655-B2 | 8-heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2008-02-26 | — | — | US | disclosed |
| US-7205403-B2 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-7205403-B2 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2007-04-17 | — | — | US | disclosed |