Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | 0.94 | CYP2C19 (0.79) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL3720144 | 0.92 | CYP2C19 (0.76) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL77666 | 0.84 | CYP2C19 (1.00) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL4318613 | 0.82 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetic Acid SCHEMBL3386939 | 0.82 | ACHE (0.41) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL7172548 | 0.82 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetic Acid SCHEMBL6291575 | 0.82 | GALR3 (0.43) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL1276372 | 0.82 | BLM (1.00) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL4318618 | 0.82 | CYP2C19 (0.95) | CYP2C19POLBBLMATMACHE | |
| Acetylthiocholine SCHEMBL27356791 | 0.82 | 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-2000044719-A2 | 1,2-DIOXETANES, PREPARATION AND USE THEREOF FOR THE DOSING OF THIOLS AND ACETYLCHOLINESTERASE | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2000-08-03 | — | — | WO | disclosed |