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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL8757394 | 0.82 | — | — | |
| Water SCHEMBL490048 | 0.82 | — | — | |
| Water SCHEMBL93168 | 0.82 | — | — | |
| Water SCHEMBL28238332 | 0.82 | — | — | |
| SCHEMBL29664 | 0.67 | — | — | |
| Water SCHEMBL8769616 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9485586 | 0.67 | — | — | |
| SCHEMBL29663 | 0.67 | — | — | |
| SCHEMBL11602107 | 0.67 | — | — | |
| SCHEMBL3930260 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109789396-A | Visible light responsive photocatalytic titanium oxide microparticle mixture, its dispersion liquid, the manufacturing method of dispersion liquid, photocatalyst film and surface have photocatalyst film component | 信越化学工业株式会社 | 2019-05-21 | — | — | CN | disclosed |