Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 2/20 | 0.31 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23462244 | 1.00 | P2RX7 (0.41) | P2RX7ARCTNNB1WNT3AKIF11 | |
| SCHEMBL24793420 | 0.84 | P2RX7 (0.40) | P2RX7CTNNB1WNT3AKIF11KIT | |
| SCHEMBL23505678 | 0.82 | TSHR (0.40) | CTNNB1WNT3AKIF11KITBRAF | |
| SCHEMBL24793422 | 0.76 | P2RX7 (0.37) | P2RX7KIF11TSHR | |
| SCHEMBL17037372 | 0.76 | P2RX7 (0.36) | P2RX7CTNNB1WNT3AKIF11 | |
| SCHEMBL23461477 | 0.74 | CYP1A2 (0.35) | P2RX7ARCTNNB1WNT3AKIF11 | |
| SCHEMBL23493165 | 0.74 | CYP1A2 (0.35) | KIF11TSHR | |
| Hydrochloric Acid SCHEMBL28973680 | 0.73 | CYP1A2 (0.34) | KIF11TSHR | |
| SCHEMBL23505700 | 0.71 | GPR55 (0.32) | TSHR | |
| SCHEMBL23493171 | 0.71 | CYP1A2 (0.47) | — |
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 |