Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 7/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1028466 | 0.90 | HTR2A (0.39) | RETSIGMAR1HTR2AHTR6HTR2C | |
| SCHEMBL9145850 | 0.88 | HTR2A (0.38) | RETSIGMAR1HTR2AHTR6HTR2C | |
| Ammonia Solution, Strong SCHEMBL21245914 | 0.88 | HTR2A (0.38) | RETSIGMAR1HTR2AHTR6HTR2C | |
| Lithium SCHEMBL9145147 | 0.88 | HTR2A (0.38) | RETSIGMAR1HTR2AHTR6HTR2C | |
| Methane SCHEMBL28813011 | 0.88 | HTR2A (0.38) | RETSIGMAR1HTR2AHTR6HTR2C | |
| SCHEMBL9145856 | 0.88 | HTR2A (0.38) | RETSIGMAR1HTR2AHTR6HTR2C | |
| SCHEMBL9145143 | 0.88 | HTR2A (0.38) | RETSIGMAR1HTR2AHTR6HTR2C | |
| Ethyne SCHEMBL28884068 | 0.86 | HTR2A (0.36) | RETSIGMAR1HTR2AHTR6HTR2C | |
| SCHEMBL27460809 | 0.84 | HTR2A (0.40) | RETSIGMAR1HTR2AHTR6HTR2C | |
| SCHEMBL2830664 | 0.81 | PRCP (0.39) | RETSIGMAR1HTR2AHTR6HTR2C |
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-109517327-A | ABS composition and preparation method thereof | 广东圆融新材料有限公司 | 2019-03-26 | — | — | CN | claimed |