Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.36 |
| ▸ | WNT3A | P56704 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL632046 | 0.84 | SIGMAR1 (0.49) | SIGMAR1CYP2A6CTNNB1WNT3AAPP | |
| SCHEMBL632461 | 0.83 | SIGMAR1 (0.53) | SIGMAR1CYP2A6CTNNB1WNT3ASMN1; SMN2 | |
| SCHEMBL632769 | 0.82 | SIGMAR1 (0.50) | SIGMAR1CYP2A6CTNNB1WNT3AAPP | |
| SCHEMBL47994 | 0.80 | SIGMAR1 (0.55) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 | |
| SCHEMBL48153 | 0.79 | SIGMAR1 (0.49) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 | |
| SCHEMBL14336107 | 0.78 | SIGMAR1 (0.53) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 | |
| SCHEMBL52010 | 0.75 | SIGMAR1 (0.51) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 | |
| SCHEMBL3813009 | 0.75 | SIGMAR1 (0.60) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 | |
| SCHEMBL2706324 | 0.74 | SIGMAR1 (0.48) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 | |
| SCHEMBL47815 | 0.74 | SIGMAR1 (0.54) | SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4 |
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-2248809-B1 | Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives | TOYAMA CHEMICAL CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-2248809-A1 | Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives | TOYAMA CHEMICAL CO., LTD. (JP) | 2010-11-10 | — | — | EP | disclosed |