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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768871 | 0.98 | — | — | |
| SCHEMBL16340985 | 0.73 | — | — | |
| SCHEMBL13861388 | 0.73 | KDM4E (0.33) | KDM4E | |
| SCHEMBL207289 | 0.72 | KDM4E (0.31) | KDM4E | |
| SCHEMBL627800 | 0.72 | — | — | |
| SCHEMBL17004512 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL572631 | 0.71 | KDM4E (0.33) | KDM4E | |
| Iodide SCHEMBL4566524 | 0.71 | KDM4E (0.30) | KDM4E | |
| Bromide SCHEMBL2439098 | 0.71 | KDM4E (0.30) | KDM4E | |
| Hydrochloric Acid SCHEMBL796577 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268440-A1 | IMIDAZOLE CARBENES | The Queen's University of Belfast (GB) | 2003-01-02 | — | — | EP | claimed |
| WO-2001077081-A1 | IMIDAZOLE CARBENES | THE QUEEN'S UNIVERSITY OF BELFAST (GB) | 2001-10-18 | — | — | WO | claimed |