Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9625482 | 0.87 | CHRM2 (0.63) | CHRM2ALDH1A1MEN1CYP1A2CYP2C19 | |
| SCHEMBL2599276 | 0.84 | CHRM2 (0.56) | CHRM2ALDH1A1MEN1CYP1A2CYP2C19 | |
| SCHEMBL799700 | 0.81 | CHRM2 (0.58) | CHRM2ALDH1A1MEN1CYP1A2CYP2C19 | |
| SCHEMBL3727196 | 0.80 | CHRM2 (0.56) | CHRM2ALDH1A1 | |
| SCHEMBL5962347 | 0.79 | CHRM2 (0.54) | CHRM2ALDH1A1MEN1CYP1A2CYP2C19 | |
| SCHEMBL19228128 | 0.79 | CHRM2 (0.55) | CHRM2ALDH1A1 | |
| SCHEMBL14481161 | 0.77 | CHRM2 (0.54) | CHRM2ALDH1A1 | |
| SCHEMBL7260725 | 0.77 | CHRM2 (0.54) | CHRM2ALDH1A1 | |
| SCHEMBL14480981 | 0.77 | CHRM2 (0.54) | CHRM2ALDH1A1 | |
| SCHEMBL7286379 | 0.77 | CHRM2 (0.53) | CHRM2ALDH1A1MEN1CYP1A2CYP2C19 |
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-2012034116-A2 | SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS | THE JOHNS HOPKINS UNIVERSITY (US) | 2012-03-15 | — | — | WO | disclosed |