Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trimethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL28490265 | 0.98 | SLC18A3 (0.45) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| Trimethylammonium SCHEMBL28484202 | 0.96 | SLC18A3 (0.43) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| Trimethylammonium SCHEMBL28493688 | 0.96 | SLC18A3 (0.43) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| SCHEMBL8222209 | 0.89 | SLC18A3 (0.52) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| Ammonia Solution, Strong SCHEMBL28132614 | 0.86 | SLC18A3 (0.50) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| Bromide SCHEMBL28484405 | 0.86 | SLC18A3 (0.50) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| Hydrochloric Acid SCHEMBL28486863 | 0.86 | SLC18A3 (0.50) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| Piperazine SCHEMBL28209479 | 0.82 | SLC18A3 (0.58) | SLC18A3SIGMAR1GBA1SLC6A2TSHR | |
| SCHEMBL28132682 | 0.82 | KDM4E (0.41) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A | |
| SCHEMBL10349649 | 0.78 | SLC6A2 (0.53) | SLC18A3SIGMAR1GBA1SLC6A2ADRA1A |
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-106467496-B | Preparation method of 4- [ (5, 6-diphenyl piperazine-2-yl) (isopropyl) amino ] -1-butanol | 苏州国匡医药科技有限公司 | 2020-12-08 | — | — | CN | disclosed |