Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Ethyl Dimethyl Ammonio Propane Sulfonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 4/20 | 0.61 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL366902 | 0.98 | BBOX1 (0.63) | BBOX1DNM1HTTKMT2AHSP90AA1 | |
| SCHEMBL17912434 | 0.91 | BBOX1 (0.55) | BBOX1DNM1HTTKMT2AHSP90AA1 | |
| Water SCHEMBL28532746 | 0.86 | BBOX1 (0.48) | BBOX1DNM1HTTKMT2AHSP90AA1 | |
| SCHEMBL918271 | 0.86 | BBOX1 (0.46) | BBOX1DNM1HTTAPPPTGS1 | |
| Sulfuric Acid SCHEMBL29054639 | 0.86 | BBOX1 (0.60) | BBOX1DNM1HTTKMT2AHSP90AA1 | |
| Water SCHEMBL1271206 | 0.85 | DNM1 (0.46) | BBOX1DNM1HTTKMT2AAPP | |
| SCHEMBL1864397 | 0.83 | DNM1 (0.48) | BBOX1DNM1HTTKMT2AAPP | |
| SCHEMBL15382997 | 0.83 | DNM1 (0.50) | BBOX1DNM1HTTKMT2AHSP90AA1 | |
| SCHEMBL22006989 | 0.82 | BBOX1 (0.43) | BBOX1DNM1HTTAPPPTGS1 | |
| Water SCHEMBL16968725 | 0.82 | HTT (0.58) | DNM1HTTKMT2AHSP90AA1RAD52 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105705536-A | Hydrophilic-oleophobic copolymer composition and uses thereof | 通用电气公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-105408122-A | Lithographic printing plate precursor, and method for producing same | FUJIFILM CORP | 2016-03-16 | — | — | CN | disclosed |