Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL717693 | 0.84 | CHRM2 (0.58) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL6253388 | 0.83 | KEAP1 (0.46) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL27482236 | 0.79 | KEAP1 (0.63) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL8573019 | 0.79 | KEAP1 (0.52) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL9473847 | 0.75 | KEAP1 (0.54) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL9473542 | 0.74 | KEAP1 (0.52) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL8334334 | 0.73 | KEAP1 (0.51) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| N-Desethyloxybutynin SCHEMBL3395516 | 0.72 | KCNH2 (0.72) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| N-Desethyloxybutynin SCHEMBL6049998 | 0.72 | KCNH2 (0.72) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL2739106 | 0.72 | CHRM2 (0.54) | KEAP1NFE2L2CHRM2CHRM1CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014078059-A1 | METHODS FOR THE TREATMENT OF SIALORRHEA | NeuRx Pharmaceuticals LLC (US) | 2014-05-22 | — | — | WO | disclosed |
| US-20140135392-A1 | METHODS FOR THE TREATMENT OF SIALORRHEA | NeuRx Pharmaceuticals LLC (US) | 2014-05-15 | — | — | US | disclosed |