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 SCHEMBL28158318 | 1.00 | — | — | |
| Water SCHEMBL26331 | 1.00 | — | — | |
| Water SCHEMBL4457888 | 0.82 | — | — | |
| Water SCHEMBL818054 | 0.82 | — | — | |
| Water SCHEMBL35845 | 0.82 | — | — | |
| Water SCHEMBL23069276 | 0.82 | — | — | |
| Water SCHEMBL6703312 | 0.82 | — | — | |
| Water SCHEMBL23234053 | 0.82 | — | — | |
| Water SCHEMBL435120 | 0.82 | — | — | |
| Water SCHEMBL23234061 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994008914-A1 | SHAPED ARTICLES OF ZIRCONIA | ALCAN INTERNATIONAL LIMITED (CA) | 1994-04-28 | — | — | WO | disclosed |