Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.68 |
| ▸ | HTR5A | P47898 | 1/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.50 |
| ▸ | HTR2C | P28335 | 7/20 | 0.50 |
| ▸ | HTR2B | P41595 | 7/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.48 |
| ▸ | TMIGD3 | P0DMS9 | 5/20 | 0.48 |
| ▸ | TSPO | P30536 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21779299 | 1.00 | HRH2 (0.68) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL16774095 | 1.00 | HRH2 (0.68) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL18357883 | 1.00 | HRH2 (0.68) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL14401404 | 0.92 | HRH2 (0.77) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL24220655 | 0.92 | HRH2 (0.77) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL18352583 | 0.88 | HRH2 (0.52) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL20122139 | 0.88 | HRH2 (0.67) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL16774081 | 0.88 | HRH2 (0.67) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL22757376 | 0.85 | ADORA3 (0.56) | HRH2HTR5AADORA1HTR2CHTR2B | |
| SCHEMBL31350098 | 0.83 | HRH2 (0.81) | HRH2HTR5AADORA1HTR2CHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963450-B2 | A3 adenosine receptor agonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2018-05-08 | — | — | US | disclosed |