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 SCHEMBL4902089 | 0.87 | — | — | |
| Water SCHEMBL27535612 | 0.87 | — | — | |
| Water SCHEMBL27714538 | 0.75 | — | — | |
| Water SCHEMBL27516075 | 0.75 | — | — | |
| Water SCHEMBL21144536 | 0.75 | — | — | |
| Water SCHEMBL27801580 | 0.75 | — | — | |
| Water SCHEMBL10006512 | 0.75 | — | — | |
| Water SCHEMBL27642338 | 0.75 | — | — | |
| Water SCHEMBL31264255 | 0.71 | — | — | |
| SCHEMBL308470 | 0.71 | — | — |
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-109943714-A | The smelting process and smelting system of vanadium titano-magnetite | 赛能杰高新技术股份有限公司 | 2019-06-28 | — | — | CN | disclosed |