Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 19/20 | 0.61 |
| ▸ | HTR2B | P41595 | 3/20 | 0.61 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122083 | 0.89 | ADORA3 (0.76) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL16774155 | 0.88 | ADORA3 (0.80) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL20122068 | 0.88 | ADORA3 (0.80) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL20122084 | 0.88 | ADORA3 (0.74) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL24615118 | 0.80 | ADORA3 (0.54) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL19807422 | 0.80 | ADORA3 (0.75) | ADORA3HTR2BTMIGD3ADORA1ADORA2A | |
| SCHEMBL24615120 | 0.79 | ADORA3 (0.50) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL21940221 | 0.79 | ADORA3 (0.75) | ADORA3HTR2BTMIGD3ADORA1ADORA2A | |
| SCHEMBL24615101 | 0.78 | ADORA3 (0.47) | ADORA3HTR2BTMIGD3ADORA1SLC6A3 | |
| SCHEMBL22359585 | 0.77 | ADORA3 (0.78) | ADORA3TMIGD3ADORA1SLC6A3ADRB3 |
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-2020168274-A1 | TREATMENT OF CHRONIC HEADACHES | SAINT LOUIS UNIVERSITY (US) | 2020-08-20 | — | — | WO | disclosed |