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 SCHEMBL28856896 | 0.94 | — | — | |
| Water SCHEMBL28207317 | 0.94 | — | — | |
| SCHEMBL29285133 | 0.84 | — | — | |
| Water SCHEMBL830232 | 0.84 | — | — | |
| SCHEMBL29110646 | 0.77 | — | — | |
| SCHEMBL8414946 | 0.76 | — | — | |
| SCHEMBL27476169 | 0.76 | — | — | |
| SCHEMBL58318 | 0.76 | — | — | |
| SCHEMBL1628111 | 0.76 | — | — | |
| SCHEMBL1981106 | 0.68 | — | — |
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-107743656-A | Resistance reduction in transistors having epitaxially grown source/drain regions | 英特尔公司 | 2018-02-27 | — | — | CN | disclosed |