Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3465074 | 0.83 | CA2 (0.32) | CA1CA2CA9MAPK1 | |
| SCHEMBL3465415 | 0.76 | CA2 (0.34) | CA1CA2CA9MAPK1 | |
| SCHEMBL3466761 | 0.75 | PIM1 (0.34) | CA1CA2CA9MAPK1 | |
| SCHEMBL3465533 | 0.70 | CA2 (0.32) | CA1CA2CA9MAPK1 | |
| SCHEMBL22169025 | 0.69 | CA1 (0.43) | CA1CA2CA9MAPK1 | |
| SCHEMBL28771443 | 0.69 | CA1 (0.31) | CA1CA2CA9MAPK1 | |
| SCHEMBL22169026 | 0.68 | CA2 (0.38) | CA1CA2CA9MAPK1 | |
| SCHEMBL21963146 | 0.67 | CA2 (0.41) | CA1CA2CA9MAPK1 | |
| SCHEMBL31475625 | 0.67 | CA2 (0.41) | CA1CA2CA9MAPK1 | |
| SCHEMBL6449500 | 0.66 | SLC40A1 (0.47) | CA1CA2CA9MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117285547-A | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-112004817-B | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-06-23 | — | — | CN | disclosed |