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 SCHEMBL29558726 | 0.81 | CHRNA7 (0.41) | CHRNA7 | |
| SCHEMBL6810216 | 0.78 | CHRNA7 (0.42) | CHRNA7 | |
| SCHEMBL6929999 | 0.73 | — | — | |
| SCHEMBL20121057 | 0.73 | TRPA1 (0.38) | KMT2ACHRNA7 | |
| SCHEMBL10708540 | 0.71 | SLC22A6 (0.43) | — | |
| SCHEMBL5944512 | 0.70 | ACHE (0.38) | KMT2A | |
| Betaine SCHEMBL2129189 | 0.70 | TSHR (0.40) | CHRNA7 | |
| SCHEMBL27658493 | 0.69 | SLC22A6 (0.42) | — | |
| SCHEMBL804049 | 0.68 | CHRNA7 (0.41) | KMT2ACHRNA7 | |
| SCHEMBL4429265 | 0.68 | BCHE (0.36) | KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051655-A4 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | ISTA PHARMACEUTICALS INC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1051655-A1 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | Ista Pharmaceuticals, Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999039238-A1 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | KERATOFORM, INC. (US) | 1999-08-05 | — | — | WO | disclosed |