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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL4146450 | 0.75 | CA9 (0.33) | POLB | |
| Water SCHEMBL8975881 | 0.74 | HDAC8 (0.46) | — | |
| SCHEMBL8976440 | 0.72 | HDAC8 (0.47) | — | |
| Water SCHEMBL4556412 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL4413637 | 0.71 | GABRA1 (0.34) | — | |
| Water SCHEMBL4556218 | 0.70 | ALOX15 (0.34) | — | |
| SCHEMBL4701353 | 0.68 | HDAC8 (0.31) | — | |
| SCHEMBL587213 | 0.67 | HDAC8 (0.50) | — | |
| SCHEMBL362206 | 0.67 | HDAC8 (0.32) | — | |
| SCHEMBL8633170 | 0.67 | ALDH1A1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090166583-A1 | COMPOSITION FOR ANISOTROPIC PIGMENTED FILM, ANISOTROPIC PIGMENTED FILM, AND POLARIZING ELEMENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-07-02 | — | — | US | disclosed |
| EP-1906216-A1 | COMPOSITION FOR ANISOTROPIC PIGMENTED FILM, ANISOTROPIC PIGMENTED FILM, AND POLARIZING ELEMENT | Mitsubishi Chemical Corporation (JP) | 2008-04-02 | — | — | EP | disclosed |
| US-20060230551-A1 | Dye compositions for anisotropic dye films, anisotropic dye films and polarizing elements | MITSUBISHI CHEMICAL CORPORATION (JP) | 2006-10-19 | — | — | US | disclosed |
| EP-1707995-A1 | DYE COMPOSITION FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM AND POLARIZER | Mitsubishi Chemical Corporation (JP) | 2006-10-04 | — | — | EP | disclosed |