Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | CDC25C | P30307 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL21593358 | 0.85 | GAA (0.33) | ALDH1A1CYP1A2CYP2C19ERN1GAA | |
| SCHEMBL31689789 | 0.68 | MC4R (0.40) | ALDH1A1HTR2ASMN1; SMN2 | |
| SCHEMBL28855352 | 0.68 | PDE4A (0.47) | ERN1GAA | |
| SCHEMBL15525407 | 0.66 | NQO2 (0.47) | ALDH1A1ERN1L3MBTL1MAPT | |
| SCHEMBL16475647 | 0.66 | ERN1 (0.68) | ALDH1A1CYP1A2CYP2C19ERN1L3MBTL1 | |
| SCHEMBL14154475 | 0.62 | PTGS2 (0.50) | ALDH1A1CYP1A2CYP2C19ERN1GAA | |
| SCHEMBL24169418 | 0.62 | KMT2A (0.38) | ALDH1A1ERN1GAAHTR2ALMNA | |
| SCHEMBL27933933 | 0.62 | CYP1A2 (0.41) | ALDH1A1CYP1A2CYP2C19ERN1GAA | |
| SCHEMBL19701764 | 0.61 | GAA (0.42) | ALDH1A1CYP1A2CYP2C19ERN1GAA | |
| SCHEMBL19701762 | 0.61 | MAPT (0.46) | ERN1GAAHTR2AL3MBTL1MAPT |
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-2019238424-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2019-12-19 | — | — | WO | disclosed |