Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4698345 | 0.79 | CHRNB2 (0.45) | CHRNA4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL8673647 | 0.79 | ALDH1A1 (0.39) | CHRNA4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL20380336 | 0.79 | CHRM2 (0.41) | CHRNA4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13169682 | 0.75 | — | — | |
| SCHEMBL291263 | 0.75 | — | — | |
| SCHEMBL5478047 | 0.73 | CHRM5 (0.60) | CHRNA4CHRM2CHRM4CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL10492632 | 0.73 | CHRM5 (0.60) | CHRNA4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL11753890 | 0.73 | CHRM2 (0.43) | CHRNA4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL446182 | 0.72 | — | — | |
| SCHEMBL1569446 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0478074-A2 | Alkoxylation of carboxylated compounds | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1992-04-01 | — | — | EP | disclosed |