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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 8/20 | 0.66 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5092861 | 0.96 | BDKRB2 (0.66) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Bromide SCHEMBL4196912 | 0.96 | BDKRB2 (0.66) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Hydrochloric Acid SCHEMBL465040 | 0.96 | BDKRB2 (0.71) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Water SCHEMBL9246283 | 0.94 | BDKRB2 (0.62) | BDKRB2CSNK1ETP53KCNH2SMN1; SMN2 | |
| Bromide SCHEMBL28061319 | 0.92 | BDKRB2 (0.61) | BDKRB2CSNK1ECNR2KCNH2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5091629 | 0.92 | BDKRB2 (0.66) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Iodide SCHEMBL5088116 | 0.92 | BDKRB2 (0.60) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Hydrochloric Acid SCHEMBL5091319 | 0.92 | BDKRB2 (0.66) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Bromide SCHEMBL5087857 | 0.92 | BDKRB2 (0.60) | BDKRB2CSNK1ECNR2TP53KCNH2 | |
| Bromide SCHEMBL5086868 | 0.92 | BDKRB2 (0.60) | BDKRB2CSNK1ECNR2TP53KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119490198-A | High-silicon EMT molecular sieve with EMT topological structure, and synthetic method and application thereof | 中国科学院大连化学物理研究所 | 2025-02-21 | — | — | CN | claimed |
| CN-119490197-A | High-silicon EMT molecular sieve and synthetic method and application thereof | 中国科学院大连化学物理研究所 | 2025-02-21 | — | — | CN | claimed |
| CN-119490197-A | High-silicon EMT molecular sieve and synthetic method and application thereof | 中国科学院大连化学物理研究所 | 2025-02-21 | — | — | CN | disclosed |
| US-4761493-A | Preparation process of quaternary phosphonium hydroxide | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 1988-08-02 | — | — | US | disclosed |