Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL301733 | 0.83 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL12051307 | 0.75 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL24477517 | 0.73 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL21939219 | 0.72 | PIK3CD (0.31) | — | |
| SCHEMBL1785594 | 0.72 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL15689619 | 0.72 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL24477538 | 0.70 | PIK3CD (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL871182 | 0.70 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL17623039 | 0.69 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 | |
| SCHEMBL16660461 | 0.69 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM2 |
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-2015048311-A1 | NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITNG CYTOCHROME P450 INHIBITION | CORTENDO AB (PUBL) (US) | 2015-04-02 | — | — | WO | disclosed |