Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 11/20 | 0.71 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.71 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650748 | 0.89 | ADORA2B (0.74) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL10614202 | 0.86 | ADORA2B (0.70) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL10614067 | 0.85 | ADORA2B (0.60) | ADORA2BADORA1ADORA2A | |
| SCHEMBL10856890 | 0.84 | ADORA2B (0.61) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL7318202 | 0.83 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL10617164 | 0.81 | KDM4E (0.62) | ADORA2BADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL10614388 | 0.78 | ADORA2B (0.60) | ADORA2BADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL1497258 | 0.78 | ADORA1 (0.72) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL3958761 | 0.77 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL1497307 | 0.76 | ADORA2B (0.65) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4769377-A | Adenosine receptor antagonists | THE JOHNS HOPKINS UNIVERSITY (US) | 1988-09-06 | — | — | US | disclosed |
| US-4593095-A | ADENOSINE RECEPTOR ANTAGONISTS | THE JOHNS HOPKINS UNIVERSITY (US) | 1986-06-03 | — | — | US | disclosed |