Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 18/20 | 0.78 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | TSPO | P30536 | 2/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.61 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL22359594 | 0.91 | ADORA3 (0.77) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL22359595 | 0.90 | ADORA3 (0.78) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL23097553 | 0.90 | ADORA3 (0.78) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL20122135 | 0.90 | ADORA3 (0.76) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL23097510 | 0.88 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL23097496 | 0.88 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL20122133 | 0.88 | ADORA3 (0.75) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL23097505 | 0.88 | ADORA3 (1.00) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL16774266 | 0.88 | ADORA3 (1.00) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 | |
| SCHEMBL20122072 | 0.88 | ADORA3 (1.00) | ADORA3SLC6A2SLC6A3ADRB3KCNH2 |
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 |