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 SCHEMBL1920891 | 0.89 | — | — | |
| Water SCHEMBL2730598 | 0.89 | — | — | |
| Water SCHEMBL10626943 | 0.89 | MEN1 (0.67) | — | |
| SCHEMBL28929379 | 0.89 | MEN1 (0.67) | — | |
| Water SCHEMBL7917398 | 0.89 | MEN1 (0.67) | — | |
| Water SCHEMBL30726526 | 0.84 | — | — | |
| Water SCHEMBL14563708 | 0.84 | — | — | |
| Water SCHEMBL11121906 | 0.84 | MEN1 (0.60) | — | |
| Water SCHEMBL28180298 | 0.84 | MEN1 (0.60) | — | |
| Potassium Ion SCHEMBL28309307 | 0.84 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135907-A | MANUFACTURE OF HIGH PURITY SUPERCONDUCTING CERAMIC | GENERAL ATOMICS (US) | 1992-08-04 | — | — | US | disclosed |
| WO-1988008609-A1 | MANUFACTURE OF HIGH PURITY SUPERCONDUCTING CERAMIC | GENERAL ATOMICS (US) | 1988-11-03 | — | — | WO | disclosed |