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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL87577 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL131480 | 0.95 | ACHE (0.31) | ACHEBBOX1 | |
| Hydrochloric Acid SCHEMBL900025 | 0.95 | ACHE (0.31) | ACHEBBOX1 | |
| Bromide SCHEMBL9778239 | 0.95 | ACHE (0.34) | ACHEBBOX1 | |
| Hydrochloric Acid SCHEMBL29171340 | 0.93 | ACHE (0.31) | ACHEBBOX1 | |
| Phosphoric Acid SCHEMBL28838497 | 0.87 | BBOX1 (0.35) | BBOX1 | |
| Trimethylammonium SCHEMBL21056159 | 0.87 | — | — | |
| SCHEMBL27798884 | 0.85 | BBOX1 (0.34) | BBOX1 | |
| Propionic Acid SCHEMBL10458033 | 0.82 | BBOX1 (0.43) | BBOX1 | |
| SCHEMBL725980 | 0.77 | ACHE (0.32) | ACHEBBOX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0004108-B1 | PROCESS FOR MAKING DETERGENT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1984-08-08 | — | — | EP | disclosed |
| US-4238373-A | QUATERNIZATION | THE PROCTER & GAMBLE COMPANY (US) | 1980-12-09 | — | — | US | disclosed |
| EP-0004108-A1 | Process for making detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1979-09-19 | — | — | EP | disclosed |