Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | DGKA | P23743 | 2/20 | 0.42 |
| ▸ | PRKCA | P17252 | 3/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL421819 | 0.98 | MGLL (0.46) | MGLLEPHX2DGKAPRKCAPRKCE | |
| Hydrochloric Acid SCHEMBL4074680 | 0.98 | MGLL (0.46) | MGLLEPHX2DGKAPRKCAPRKCE | |
| SCHEMBL1044582 | 0.93 | DGKA (0.48) | MGLLEPHX2DGKAPRKCACNR2 | |
| Hydrochloric Acid SCHEMBL888280 | 0.92 | DGKA (0.47) | MGLLEPHX2DGKAPRKCACNR2 | |
| Hydrochloric Acid SCHEMBL18209371 | 0.92 | DGKA (0.47) | MGLLEPHX2DGKAPRKCACNR2 | |
| SCHEMBL19133947 | 0.86 | MGLL (0.46) | MGLLEPHX2DGKAPRKCAPRKCE | |
| SCHEMBL441410 | 0.86 | MGLL (0.46) | MGLLEPHX2DGKAPRKCAPRKCE | |
| SCHEMBL16607665 | 0.86 | DGKA (0.45) | MGLLEPHX2DGKAPRKCAPRKCE | |
| Hydrochloric Acid SCHEMBL421820 | 0.85 | MGLL (0.45) | MGLLEPHX2DGKAPRKCAPRKCE | |
| Hydrochloric Acid SCHEMBL3281364 | 0.85 | MGLL (0.45) | MGLLEPHX2DGKAPRKCAPRKCE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730404-B1 | AMPHIPHILIC IMIDAZOLINIUM DERIVATIVES | VALENTIS INC (US) | 2004-02-04 | — | — | EP | disclosed |
| WO-1995014380-A1 | AMPHIPHILIC IMIDAZOLINIUM DERIVATIVES | MEGABIOS CORPORATION (US) | 1995-06-01 | — | — | WO | disclosed |