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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.93 |
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 | |
|---|---|---|---|---|
| SCHEMBL10884820 | 0.93 | CHRNA7 (0.93) | CHRNA7 | |
| Iodide SCHEMBL5050443 | 0.93 | CHRNA7 (0.93) | CHRNA7 | |
| SCHEMBL10884827 | 0.93 | CHRNA7 (0.93) | CHRNA7 | |
| Bromide SCHEMBL11250560 | 0.82 | CHRNA7 (0.72) | CHRNA7 | |
| Bicarbonate SCHEMBL3621286 | 0.80 | CHRNA7 (0.68) | CHRNA7 | |
| Bicarbonate SCHEMBL3621287 | 0.78 | CHRNA7 (0.65) | CHRNA7 | |
| Bromide SCHEMBL11577972 | 0.73 | — | — | |
| Water SCHEMBL20473028 | 0.71 | CHRNA7 (0.47) | CHRNA7 | |
| SCHEMBL13429190 | 0.67 | — | — | |
| SCHEMBL19975778 | 0.66 | CHRNA7 (0.50) | CHRNA7 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582628-A1 | ALKALI-FREE SYNTHESIS OF ZEOLITIC MATERIALS OF LEV-TYPE STRUCTURE | BASF SE (DE) | 2013-04-24 | — | — | EP | claimed |
| WO-2011158219-A1 | ALKALI-FREE SYNTHESIS OF ZEOLITIC MATERIALS OF LEV-TYPE STRUCTURE | BASF SE (DE) | 2011-12-22 | — | — | WO | claimed |
| US-9334171-B2 | Alkali-free synthesis of zeolitic materials of the LEV-type structure | BASF SE (DE) | 2016-05-10 | — | — | US | disclosed |
| EP-2582628-A1 | ALKALI-FREE SYNTHESIS OF ZEOLITIC MATERIALS OF LEV-TYPE STRUCTURE | BASF SE (DE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011158219-A1 | ALKALI-FREE SYNTHESIS OF ZEOLITIC MATERIALS OF LEV-TYPE STRUCTURE | BASF SE (DE) | 2011-12-22 | — | — | WO | disclosed |
| US-20110312486-A1 | Alkali-Free Synthesis of Zeolitic Materials of the LEV-Type Structure | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2011-12-22 | — | — | US | disclosed |
| US-3970631-A | Triesters of triethanolmethane and monocarboxylic acids as plasticizers for polyvinyl chloride | CHEVRON RESEARCH COMPANY (US) | 1976-07-20 | — | — | US | disclosed |
| US-3939201-A | TRIETHANOLMETHANE TRIESTERS, POLYVINYL CHLORIDE PLASTICIZERS | CHEVRON RESEARCH COMPANY (US) | 1976-02-17 | — | — | US | disclosed |