Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.67 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3436828 | 1.00 | SIGMAR1 (0.67) | SIGMAR1MC4RALDH1A1POLBGAA | |
| SCHEMBL7383165 | 0.86 | SIGMAR1 (0.60) | SIGMAR1MC4RALDH1A1POLB | |
| SCHEMBL4821732 | 0.84 | SIGMAR1 (0.59) | SIGMAR1MC4R | |
| SCHEMBL4821722 | 0.84 | SIGMAR1 (0.59) | SIGMAR1MC4R | |
| SCHEMBL15829968 | 0.84 | GBA1 (0.53) | SIGMAR1ALDH1A1POLB | |
| SCHEMBL25154270 | 0.84 | SIGMAR1 (0.59) | SIGMAR1MC4RALDH1A1 | |
| SCHEMBL25154734 | 0.84 | SIGMAR1 (0.59) | SIGMAR1MC4RALDH1A1 | |
| SCHEMBL65364 | 0.83 | SIGMAR1 (0.78) | SIGMAR1ALDH1A1POLBGAA | |
| SCHEMBL20719 | 0.83 | SIGMAR1 (0.78) | SIGMAR1ALDH1A1POLBGAA | |
| SCHEMBL2974293 | 0.83 | SIGMAR1 (0.78) | SIGMAR1ALDH1A1POLBGAA |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |