Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 19/20 | 0.56 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122119 | 0.82 | ADORA3 (0.61) | ADORA3TMIGD3ADORA2AADORA1HTR2B | |
| SCHEMBL16774261 | 0.82 | ADORA3 (0.83) | ADORA3TMIGD3ADORA2AADORA1HTR2B | |
| SCHEMBL20122208 | 0.82 | ADORA3 (0.83) | ADORA3TMIGD3ADORA2AADORA1HTR2B | |
| SCHEMBL24615116 | 0.79 | ADORA3 (0.59) | ADORA3TMIGD3ADORA2A | |
| SCHEMBL21939547 | 0.79 | ADORA3 (0.54) | ADORA3TMIGD3ADORA2AADORA1HTR2B | |
| SCHEMBL18352572 | 0.77 | ADORA3 (0.71) | ADORA3TMIGD3ADORA2AADORA1HTR2B | |
| SCHEMBL21940192 | 0.77 | ADORA3 (0.69) | ADORA3ADORA2AADORA1 | |
| SCHEMBL24615197 | 0.76 | ADORA3 (0.49) | ADORA3TMIGD3 | |
| SCHEMBL20122112 | 0.76 | ADORA3 (0.56) | ADORA3ADORA2AADORA1 | |
| SCHEMBL23097548 | 0.73 | ADORA3 (0.71) | ADORA3ADORA2A |
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 |