Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 17/20 | 0.77 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.77 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.77 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.77 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.66 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.66 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL23097553 | 0.96 | ADORA3 (0.78) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL22359595 | 0.96 | ADORA3 (0.78) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL20122135 | 0.94 | ADORA3 (0.76) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL23097496 | 0.91 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL23097510 | 0.91 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL20122133 | 0.91 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL22359585 | 0.91 | ADORA3 (0.78) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL22764891 | 0.89 | ADORA3 (0.72) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL21939677 | 0.88 | ADORA3 (0.76) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 | |
| SCHEMBL22359609 | 0.88 | ADORA3 (0.76) | ADORA3SLC6A2SLC6A3ADRB3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3074398-B1 | A3 ADENOSINE RECEPTOR AGONISTS | US HEALTH (US) | 2021-03-17 | — | — | EP | disclosed |
| WO-2020168274-A1 | TREATMENT OF CHRONIC HEADACHES | SAINT LOUIS UNIVERSITY (US) | 2020-08-20 | — | — | WO | disclosed |