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 | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL1880194 | 0.97 | SHBG (0.35) | SHBG | |
| SCHEMBL1880759 | 0.97 | SHBG (0.32) | SHBG | |
| SCHEMBL1876325 | 0.94 | SHBG (0.36) | SHBG | |
| Hydrochloric Acid SCHEMBL1502867 | 0.92 | SHBG (0.35) | SHBG | |
| Bromide SCHEMBL1502906 | 0.92 | SHBG (0.35) | SHBG | |
| Fluoride Ion SCHEMBL1502814 | 0.92 | SHBG (0.35) | SHBG | |
| Iodide SCHEMBL1502855 | 0.92 | SHBG (0.35) | SHBG | |
| SCHEMBL2149788 | 0.85 | SHBG (0.31) | SHBG | |
| SCHEMBL27754358 | 0.85 | SHBG (0.31) | SHBG | |
| SCHEMBL27817424 | 0.83 | SHBG (0.30) | SHBG |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7935330-B2 | Isostructural to ITQ-21; synthesis mixture comprising water, source of germanium, source of a tetravalent element X other than germanium, a structure directing agent such as N,N-dipropyldiclopentylammonium hydroxide; molecular sieves | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-05-03 | — | — | US | disclosed |
| US-7635462-B2 | Method of making porous crystalline materials | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2009-12-22 | — | — | US | disclosed |
| WO-2008033230-A2 | A METHOD OF MAKING POROUS CRYSTALLINE MATERIALS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2008-03-20 | — | — | WO | disclosed |
| US-20080071128-A1 | Method of making porous crystalline materials | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2008-03-20 | — | — | US | disclosed |
| US-20080069769-A1 | Method of making porous crystalline materials | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2008-03-20 | — | — | US | disclosed |
| WO-2008033229-A2 | A METHOD OF MAKING POROUS CRYSTALLINE MATERIALS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2008-03-20 | — | — | WO | disclosed |