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.
Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL9000173 | 0.98 | BCHE (0.58) | BCHEACHE | |
| SCHEMBL35093 | 0.98 | BCHE (0.56) | BCHEACHE | |
| Hydrochloric Acid SCHEMBL34521 | 0.96 | BCHE (0.54) | BCHEACHE | |
| Bromide SCHEMBL27724376 | 0.96 | BCHE (0.58) | BCHEACHE | |
| Water SCHEMBL1254758 | 0.94 | BCHE (0.50) | BCHEACHE | |
| Sulfuric Acid SCHEMBL28675978 | 0.92 | BCHE (0.50) | BCHEACHE | |
| SCHEMBL351087 | 0.92 | BCHE (0.52) | BCHEACHE | |
| SCHEMBL15732261 | 0.91 | BCHE (0.48) | BCHEACHE | |
| Sulfuric Acid SCHEMBL28430151 | 0.90 | BCHE (0.50) | BCHEACHE | |
| SCHEMBL34915 | 0.89 | BCHE (0.47) | BCHEACHE |
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-2000041773-A1 | ZWITTER-ION AND IONENE GOLF BALL FORMING COMPOSITIONS AND METHODS | ACUSHNET COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |