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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 13/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12585560 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL1406650 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL12585708 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL12585556 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL1406989 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL1994028 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL12585707 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL448192 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| SCHEMBL1406987 | 0.97 | EPHX2 (0.46) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 | |
| Water SCHEMBL4715563 | 0.95 | EPHX2 (0.44) | EPHX2HSD11B1L3MBTL1GAAHSD11B2 |
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-1999114-A2 | PYRAZOLES AS 11-BETA-HSD-1 | F. Hoffmann-la Roche AG (CH) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007107470-A2 | PYRAZOLES AS 11-BETA-HSD-1 | F. HOFFMANN-LA ROCHE AG (CH) | 2007-09-27 | — | — | WO | disclosed |