Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL5853096 | 0.83 | CYP2D6 (0.38) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL25473614 | 0.80 | ALDH1A1 (0.41) | CYP2D6CYP1A2ALDH1A1OPRM1OPRL1 | |
| SCHEMBL7694714 | 0.77 | NOS3 (0.34) | — | |
| SCHEMBL9341766 | 0.73 | CYP1A2 (0.39) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL10363776 | 0.73 | CYP2D6 (0.35) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3380376 | 0.73 | ALDH1A1 (0.38) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7680744 | 0.73 | HDAC4 (0.36) | OPRM1OPRL1OPRK1OPRD1SMN1; SMN2 | |
| SCHEMBL7685460 | 0.73 | HDAC4 (0.36) | OPRM1OPRL1OPRK1OPRD1SMN1; SMN2 | |
| SCHEMBL8581476 | 0.73 | HDAC4 (0.36) | OPRM1OPRL1OPRK1OPRD1SMN1; SMN2 | |
| SCHEMBL7685220 | 0.73 | HDAC4 (0.36) | OPRM1OPRL1OPRK1OPRD1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1892242-B1 | Method of purifying 3-phenyl-3,4-epoxy-2-butanol derivatives by liquid-liquid extraction | SUMITOMO CHEMICAL CO (JP) | 2010-09-29 | — | — | EP | disclosed |
| EP-1892242-A1 | Method of purifying 3-phenyl-3,4-epoxy-2-butanol derivatives by liquid-liquid extraction | Sumitomo Chemical Company, Limited (JP) | 2008-02-27 | — | — | EP | disclosed |