Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24326673 | 0.87 | ALDH1A1 (0.40) | ALDH1A1POLBROCK2SIGMAR1 | |
| SCHEMBL24326315 | 0.86 | SIGMAR1 (0.39) | ALDH1A1POLBROCK2SIGMAR1 | |
| SCHEMBL24325771 | 0.85 | GPR119 (0.33) | — | |
| SCHEMBL24325752 | 0.83 | ALDH1A1 (0.40) | ALDH1A1ROCK2SIGMAR1 | |
| SCHEMBL24326678 | 0.80 | ALDH1A1 (0.40) | ALDH1A1POLBROCK2SIGMAR1 | |
| SCHEMBL24325783 | 0.79 | MRGPRX4 (0.31) | — | |
| SCHEMBL27012799 | 0.79 | CA1 (0.34) | ALDH1A1 | |
| SCHEMBL24325734 | 0.79 | PRMT6 (0.35) | ALDH1A1ROCK2SIGMAR1 | |
| SCHEMBL24326076 | 0.78 | CXCR4 (0.40) | SIGMAR1 | |
| SCHEMBL24325747 | 0.78 | MEN1 (0.33) | ALDH1A1 |
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 |