Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.51 |
| ▸ | HTR5A | P47898 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.48 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 5/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16774130 | 1.00 | HRH2 (0.51) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL18358028 | 1.00 | HRH2 (0.51) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL29573861 | 0.91 | HRH2 (0.53) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL18353150 | 0.90 | HRH2 (0.51) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL20122146 | 0.90 | ADORA3 (0.51) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL16774131 | 0.90 | ADORA3 (0.51) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL22757376 | 0.87 | ADORA3 (0.56) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL20122139 | 0.86 | HRH2 (0.67) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL16774081 | 0.86 | HRH2 (0.67) | HRH2HTR5AADORA3ADORA1ADORA2A | |
| SCHEMBL29573817 | 0.84 | HSP90B1 (0.52) | HRH2HTR5AADORA3ADORA1ADORA2A |
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 |