Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 20/20 | 0.80 |
| ▸ | HTR2B | P41595 | 3/20 | 0.80 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.80 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.79 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.79 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122068 | 1.00 | ADORA3 (0.80) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL21779294 | 0.89 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL21779354 | 0.89 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL21779323 | 0.89 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL16774252 | 0.89 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL20122138 | 0.89 | ADORA3 (0.81) | ADORA3ADORA1SLC6A3ADORA2AADRB3 | |
| SCHEMBL21779295 | 0.88 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL16774322 | 0.88 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL20122145 | 0.88 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL16774209 | 0.88 | ADORA3 (1.00) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015080940-A1 | A3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-06-04 | — | — | WO | disclosed |