Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL157066 | 0.91 | CES1 (0.62) | CES2CES1LMNATDP1L3MBTL1 | |
| Water SCHEMBL468373 | 0.88 | CES1 (0.60) | CES2CES1LMNATDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28500209 | 0.88 | CES1 (0.60) | CES2CES1LMNATDP1L3MBTL1 | |
| Acetic Acid SCHEMBL28663318 | 0.84 | CES2 (0.56) | CES2CES1LMNATDP1L3MBTL1 | |
| Benzoin SCHEMBL9248614 | 0.81 | LMNA (0.84) | CES2CES1LMNATDP1L3MBTL1 | |
| SCHEMBL30803096 | 0.79 | CES1 (0.56) | CES2CES1LMNATDP1L3MBTL1 | |
| SCHEMBL1164038 | 0.77 | SMN1; SMN2 (0.56) | CES2CES1LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL1088403 | 0.77 | CES2 (0.54) | CES2CES1LMNATDP1L3MBTL1 | |
| SCHEMBL1549080 | 0.75 | CES1 (0.62) | CES2CES1LMNATDP1L3MBTL1 | |
| Benzoic Acid SCHEMBL28921708 | 0.75 | TSHR (0.78) | CES2CES1TDP1L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113748101-A | Process for the preparation of enantiomerically pure norepinephrine | 爱德蒙制药责任有限公司 | 2021-12-03 | — | — | CN | disclosed |