Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28115639 | 1.00 | KDM4E (0.33) | KDM4EALDH1A1CES2CES1POLB | |
| SCHEMBL28707167 | 1.00 | KDM4E (0.33) | KDM4EALDH1A1CES2CES1POLB | |
| SCHEMBL28703763 | 0.93 | CES2 (0.35) | KDM4EALDH1A1CES2CES1POLB | |
| SCHEMBL11174944 | 0.91 | — | — | |
| SCHEMBL6053029 | 0.82 | — | — | |
| SCHEMBL28716308 | 0.82 | EPHX1 (0.33) | CES2CES1 | |
| SCHEMBL28716407 | 0.74 | BTK (0.39) | ALDH1A1POLBGAA | |
| SCHEMBL28713958 | 0.73 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL3390027 | 0.72 | — | — | |
| SCHEMBL12492014 | 0.69 | POLB (0.42) | KDM4EALDH1A1CES2CES1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |