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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL5038150 | 0.94 | MEN1 (0.67) | — | |
| Water SCHEMBL1920891 | 0.94 | — | — | |
| Water SCHEMBL2639803 | 0.94 | — | — | |
| Water SCHEMBL2730598 | 0.94 | — | — | |
| Water SCHEMBL28551373 | 0.89 | MEN1 (0.60) | — | |
| Water SCHEMBL29134043 | 0.89 | MEN1 (0.60) | — | |
| Water SCHEMBL27176365 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL5408320 | 0.89 | — | — | |
| Water SCHEMBL14563708 | 0.89 | — | — | |
| Zinc Ion SCHEMBL5028433 | 0.89 | MEN1 (0.60) | — |
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-117355488-A | Binary metal hydroxide nitrate | 提艾比化学股份公司 | 2024-01-05 | — | — | CN | claimed |