Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | CA1 | P00915 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL6138422 | 0.90 | — | — | |
| Trimethylammonium SCHEMBL700368 | 0.83 | — | — | |
| SCHEMBL27597897 | 0.81 | CYP2C19 (0.36) | LMNASLC6A6CYP2C19BLMCA2 | |
| Trimethylammonium SCHEMBL27853942 | 0.79 | CA2 (0.44) | CA2CA1TSHRNT5ECA4 | |
| Sulfuric Acid SCHEMBL3677190 | 0.79 | CA5A (0.50) | LMNASLC6A6CYP2C19BLMCA2 | |
| Sulfuric Acid SCHEMBL921788 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL27527228 | 0.79 | CA2 (0.44) | CA2CA1TSHRNT5ECA4 | |
| Sulfuric Acid SCHEMBL8766489 | 0.79 | CA5A (0.50) | LMNASLC6A6CYP2C19BLMCA2 | |
| Ethylamine SCHEMBL4346377 | 0.78 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL17385622 | 0.78 | CA2 (0.37) | CYP2C19CA2CA1CA5ACA5B |
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-101006046-A | Process for preparing high purity quaternary ammonium compounds | BASF AG (DE) | 2007-07-25 | — | — | CN | disclosed |