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 | |
|---|---|---|---|---|
| SCHEMBL7722290 | 0.98 | BBOX1 (0.32) | BBOX1EPHX2 | |
| Betaine SCHEMBL514681 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL173751 | 0.85 | BBOX1 (0.49) | BBOX1EPHX2 | |
| SCHEMBL21048548 | 0.84 | APP (0.37) | EPHX2 | |
| Betaine SCHEMBL3946024 | 0.83 | TSHR (0.35) | — | |
| Water SCHEMBL138325 | 0.78 | EPHX2 (0.35) | BBOX1EPHX2 | |
| SCHEMBL17817469 | 0.76 | HTT (0.45) | EPHX2 | |
| SCHEMBL11319952 | 0.76 | CYP2C19 (0.36) | EPHX2 | |
| SCHEMBL918271 | 0.76 | BBOX1 (0.46) | BBOX1 | |
| SCHEMBL245098 | 0.76 | EPHX2 (0.35) | BBOX1EPHX2 |
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-8541498-B2 | Lubricious coatings for medical devices | BIOINTERACTIONS LTD. (GB) | 2013-09-24 | — | — | US | disclosed |
| US-20120059111-A1 | LUBRICIOUS COATINGS FOR MEDICAL DEVICES | BIOINTERACTIONS LTD. (GB) | 2012-03-08 | — | — | US | disclosed |