Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.54 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.54 |
| ▸ | CHRNG | P07510 | 2/20 | 0.54 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.54 |
| ▸ | CHRND | Q07001 | 2/20 | 0.54 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28473881 | 0.86 | PARP1 (0.55) | PARP1GSK3BSLC6A2SLC6A3CHRNA1 | |
| SCHEMBL10898106 | 0.86 | PARP1 (0.55) | PARP1GSK3BSLC6A2SLC6A3CHRNA1 | |
| SCHEMBL29848174 | 0.85 | SLC6A2 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL633225 | 0.85 | SLC6A2 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL8639727 | 0.85 | PARP1 (0.53) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL5256414 | 0.82 | SLC6A2 (0.61) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL4741238 | 0.82 | PARP1 (0.50) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL5370186 | 0.82 | GSK3B (0.50) | PARP1GSK3BSLC6A2SLC6A3CHRNA1 | |
| SCHEMBL28631032 | 0.82 | PARP1 (0.50) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL8867285 | 0.82 | PARP1 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912434-A | The synthetic method of phenyl ethyl amine beta receptor agonist | 上海安谱实验科技股份有限公司 | 2019-06-21 | — | — | CN | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| CN-1867571-A | In situ preparation of chiral derivatives of oxaborolidine-borane complexes, useful in asymmetric reduction reactions of etheroximes or ketones to chiral alcohols or amines | PPG SIPSY (FR) | 2006-11-22 | — | — | CN | disclosed |
| EP-1673375-A2 | METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS | PPG-Sipsy (FR) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005035540-A2 | METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS | PPG-SIPSY (FR) | 2005-04-21 | — | — | WO | disclosed |