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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4360992 | 0.73 | — | — | |
| Water SCHEMBL319957 | 0.71 | TSHR (0.39) | TSHR | |
| Water SCHEMBL319988 | 0.69 | TSHR (0.37) | TSHR | |
| SCHEMBL1275992 | 0.67 | TSHR (0.41) | TSHR | |
| SCHEMBL272420 | 0.65 | TSHR (0.39) | TSHR | |
| Bromide SCHEMBL8461150 | 0.65 | TSHR (0.39) | TSHR | |
| Iodide SCHEMBL28517508 | 0.65 | TSHR (0.39) | TSHR | |
| Hydrochloric Acid SCHEMBL11582717 | 0.65 | TSHR (0.39) | TSHR | |
| Hydrochloric Acid SCHEMBL11584438 | 0.62 | TSHR (0.37) | TSHR | |
| SCHEMBL8023577 | 0.62 | TDP1 (0.37) | TSHR |
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-110770137-A | Container, method for manufacturing container, and chemical liquid container | 富士胶片株式会社 | 2020-02-07 | — | — | CN | disclosed |