Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 20/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 20/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL29573444 | 1.00 | ADORA3 (0.47) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL23201580 | 1.00 | ADORA3 (0.47) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL12509356 | 1.00 | ADORA3 (0.47) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL26969051 | 0.88 | ADORA3 (0.40) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL15935848 | 0.88 | ADORA3 (0.40) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL12509206 | 0.88 | ADORA3 (0.40) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL29573299 | 0.85 | ADORA3 (0.50) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL29574515 | 0.82 | ADORA3 (0.40) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL29573771 | 0.82 | ADORA3 (0.61) | ADORA3ADORA1ADORA2AHTR2CHTR2B | |
| SCHEMBL29573310 | 0.81 | ADORA3 (0.54) | ADORA3ADORA1ADORA2AHTR2CHTR2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331542-B1 | A3 ADENOSINE RECEPTOR ANTAGONISTS AND PARTIAL AGONISTS | US HEALTH (US) | 2016-07-27 | — | — | EP | disclosed |
| US-9181253-B2 | Adenosine receptor agonists, partial agonists, and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-11-10 | — | — | US | disclosed |
| US-8796291-B2 | A3 adenosine receptor antagonists and partial agonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-08-05 | — | — | US | disclosed |