Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Neostigmine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 13/20 | 0.89 |
| ▸ | BCHE | P06276 | 5/20 | 0.89 |
| ▸ | LMNA | P02545 | 3/20 | 0.89 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.89 |
| ▸ | MEN1 | O00255 | 1/20 | 0.89 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.89 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Neostigmine SCHEMBL41128 | 0.94 | ACHE (1.00) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL29618009 | 0.94 | ACHE (1.00) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL8026154 | 0.93 | ACHE (1.00) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL29603805 | 0.93 | ACHE (1.00) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL34419 | 0.93 | ACHE (1.00) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL20425365 | 0.91 | ACHE (0.97) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL16228482 | 0.91 | ACHE (0.97) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL30029632 | 0.91 | ACHE (0.97) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL7576189 | 0.90 | ACHE (0.94) | ACHEBCHELMNAKMT2AMEN1 | |
| Neostigmine SCHEMBL2028206 | 0.89 | ACHE (0.89) | ACHEBCHELMNAKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200069778-A1 | PLANT-EXPRESSED COCAINE HYDROLASE VARIANTS OF BUTYRYLCHOLINESTERASE AND METHODS OF REDUCING COCAINE-PRIMED REINSTATEMENT | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY | 2020-03-05 | — | — | US | disclosed |