Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 20/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL23097648 | 1.00 | ADORA3 (0.59) | ADORA3SLC6A2SLC6A3KCNH2ADORA2A | |
| SCHEMBL22359598 | 0.89 | ADORA3 (0.75) | ADORA3 | |
| SCHEMBL22359723 | 0.87 | ADORA3 (0.75) | ADORA3 | |
| SCHEMBL23097630 | 0.87 | ADORA3 (0.75) | ADORA3 | |
| SCHEMBL21940215 | 0.87 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3KCNH2 | |
| SCHEMBL23097512 | 0.87 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3KCNH2 | |
| SCHEMBL21939669 | 0.86 | ADORA3 (0.71) | ADORA3 | |
| SCHEMBL23097537 | 0.85 | ADORA3 (0.80) | ADORA3SLC6A2SLC6A3KCNH2 | |
| SCHEMBL21939546 | 0.85 | ADORA3 (0.57) | ADORA3 | |
| SCHEMBL16774180 | 0.85 | ADORA3 (0.80) | ADORA3SLC6A2SLC6A3KCNH2 |
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 |