Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Acetylthiocholine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.34 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | POLB | P06746 | 1/20 | 0.73 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | ATM | Q13315 | 1/20 | 0.73 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Acetylthiocholine SCHEMBL28776641 | 0.98 | CYP2C19 (0.79) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL8006744 | 0.92 | CYP2C19 (0.70) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL400577 | 0.89 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL77666 | 0.87 | CYP2C19 (1.00) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL1276372 | 0.85 | BLM (1.00) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL4318618 | 0.85 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL7172548 | 0.85 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL27356791 | 0.85 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL4318613 | 0.85 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL16322376 | 0.85 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010142642-A1 | 4 -HYDRAZONO- 1,4 -DIHYDROPYRIDINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) | 2010-12-16 | — | — | WO | disclosed |