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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.32 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12036494 | 0.97 | CHRNA7 (0.36) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL12638606 | 0.97 | CHRNA7 (0.36) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Bromide SCHEMBL7629729 | 0.92 | CHRNA7 (0.36) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Iodide SCHEMBL3854066 | 0.84 | GNAI3 (0.40) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14651460 | 0.72 | BCHE (0.35) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4903652 | 0.72 | PTK2 (0.39) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Bromide SCHEMBL18954261 | 0.70 | PTK2 (0.37) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4902669 | 0.65 | CHRNA7 (0.45) | CHRNA7BCHEACHECHKA | |
| SCHEMBL4905061 | 0.64 | CHRNA7 (0.37) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL830237 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0997434-A1 | SYNTHESIS OF LARGE PORE ZEOLITES AND ZEOTYPES | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2000-05-03 | — | — | EP | disclosed |