Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.60 |
| ▸ | HRH1 | P35367 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1999952 | 1.00 | CHRM3 (0.61) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL11465571 | 0.99 | CHRM3 (0.60) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL20476344 | 0.92 | CHRM3 (0.64) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL6588205 | 0.88 | CHRM3 (0.59) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL14753777 | 0.84 | CYP3A4 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL14753782 | 0.84 | CYP3A4 (0.70) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL2128059 | 0.84 | CHRM3 (0.65) | CHRM3CHRM2ALDH1A1CHRM1KCNH2 | |
| SCHEMBL6402188 | 0.83 | CHRM2 (0.61) | CHRM3CHRM2CHRM1 | |
| SCHEMBL6402190 | 0.83 | CHRM2 (0.61) | CHRM3CHRM2CHRM1 | |
| SCHEMBL6404431 | 0.83 | CHRM2 (0.61) | CHRM3CHRM2CHRM1 |
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-2007058971-A2 | SOFT ANTICHOLINERGIC ESTERS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007059021-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |