Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14007746 | 1.00 | ADORA2A (0.44) | ADORA2ACYP3A4TSHRPIK3CA | |
| SCHEMBL12744378 | 0.83 | ADORA2A (0.38) | ADORA2A | |
| Hydrochloric Acid SCHEMBL10371157 | 0.83 | ADORA2A (0.39) | ADORA2A | |
| SCHEMBL21901486 | 0.82 | ADORA2A (0.38) | ADORA2A | |
| SCHEMBL21603470 | 0.80 | ADORA2A (0.43) | ADORA2A | |
| SCHEMBL21532908 | 0.80 | ESR1 (0.42) | ADORA2A | |
| SCHEMBL13395585 | 0.80 | ADORA2A (0.38) | ADORA2A | |
| SCHEMBL12879229 | 0.80 | ADORA2A (0.37) | ADORA2A | |
| SCHEMBL3055306 | 0.80 | ADORA2A (0.37) | ADORA2A | |
| SCHEMBL23461927 | 0.77 | ADORA2A (0.35) | ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4069216-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | Flatley Discovery Lab, LLC (US) | 2022-10-12 | — | — | EP | disclosed |