Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24326678 | 0.93 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2APOLBSIGMAR1 | |
| SCHEMBL24325752 | 0.87 | ALDH1A1 (0.40) | ALDH1A1SIGMAR1SCN4ADRD4ROCK2 | |
| SCHEMBL24325747 | 0.87 | MEN1 (0.33) | ALDH1A1MEN1KMT2AMAPK1SCN4A | |
| SCHEMBL24326675 | 0.87 | MEN1 (0.33) | ALDH1A1MEN1KMT2AMAPK1SCN4A | |
| SCHEMBL24326679 | 0.87 | ALDH1A1 (0.41) | ALDH1A1POLBSIGMAR1ROCK2 | |
| SCHEMBL24326262 | 0.85 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL24326315 | 0.82 | SIGMAR1 (0.39) | ALDH1A1KMT2APOLBSIGMAR1LMNA | |
| SCHEMBL24326149 | 0.80 | ALDH1A1 (0.34) | ALDH1A1MEN1KMT2APOLBSIGMAR1 | |
| SCHEMBL24325734 | 0.74 | PRMT6 (0.35) | ALDH1A1SIGMAR1ROCK2 | |
| SCHEMBL29570636 | 0.74 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AMAPK1LMNA |
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 |