Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.66 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 8/20 | 0.40 |
| ▸ | CA12 | O43570 | 7/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9432076 | 0.83 | CYP2A6 (0.70) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL6598547 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL13177010 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL632443 | 0.79 | CYP2A6 (1.00) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL29952287 | 0.79 | CYP2A6 (1.00) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL21457940 | 0.76 | CYP2A6 (0.56) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL21457942 | 0.76 | CYP2A6 (0.56) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL16693049 | 0.75 | CYP2A6 (0.59) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL9798820 | 0.73 | CYP2A6 (0.57) | CYP2A6CA2PTPRCPTPN6PTPN11 | |
| SCHEMBL9798825 | 0.73 | CYP2A6 (0.57) | CYP2A6CA2PTPRCPTPN6PTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101151257-B | Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof | TOYAMA CHEMICAL CO LTD | 2012-07-18 | — | — | CN | disclosed |
| CN-101151257-A | Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof | TOYAMA CHEMICAL CO LTD (JP) | 2008-03-26 | — | — | CN | disclosed |