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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5057742 | 0.97 | SHBG (0.35) | SHBGCYP1A2CHRNA7 | |
| SCHEMBL7549398 | 0.95 | SHBG (0.33) | SHBGCYP1A2CHRNA7 | |
| SCHEMBL5624036 | 0.83 | — | — | |
| Water SCHEMBL3186855 | 0.79 | SHBG (0.33) | SHBGCYP1A2 | |
| Water SCHEMBL1004548 | 0.79 | BBOX1 (0.35) | SHBGCYP1A2CHRNA7 | |
| Water SCHEMBL1880194 | 0.76 | SHBG (0.35) | SHBGCYP1A2 | |
| SCHEMBL815698 | 0.76 | BBOX1 (0.36) | SHBGCYP1A2CHRNA7 | |
| SCHEMBL27081629 | 0.76 | BBOX1 (0.36) | SHBGCYP1A2CHRNA7 | |
| SCHEMBL1030997 | 0.76 | SHBG (0.35) | SHBGCYP1A2 | |
| SCHEMBL27081613 | 0.76 | SHBG (0.35) | SHBGCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| US-20080069769-A1 | Method of making porous crystalline materials | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2008-03-20 | — | — | US | claimed |
| 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 |
| WO-2008033229-A2 | A METHOD OF MAKING POROUS CRYSTALLINE MATERIALS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2008-03-20 | — | — | WO | disclosed |
| US-20080069769-A1 | Method of making porous crystalline materials | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2008-03-20 | — | — | US | disclosed |
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |