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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1318862 | 0.97 | TSHR (0.42) | TSHRBBOX1TDP1ALDH1A1PSMD14 | |
| Bromide SCHEMBL28878829 | 0.94 | TSHR (0.40) | TSHRBBOX1TDP1ALDH1A1PSMD14 | |
| Water SCHEMBL21253142 | 0.85 | TSHR (0.39) | TSHRTDP1ALDH1A1PSMD14PLA2G1B | |
| SCHEMBL1686177 | 0.82 | TSHR (0.41) | TSHRTDP1ALDH1A1PSMD14PLA2G1B | |
| SCHEMBL5805006 | 0.82 | PSMD14 (0.41) | TSHRBBOX1TDP1PSMD14PLA2G1B | |
| Water SCHEMBL11723725 | 0.81 | TSHR (0.38) | TSHRTDP1ALDH1A1PSMD14PLA2G1B | |
| Sulfuric Acid SCHEMBL29658877 | 0.80 | BBOX1 (0.38) | TSHRBBOX1PSMD14PLA2G1BMMP2 | |
| Water SCHEMBL28099726 | 0.78 | TSHR (0.40) | TSHRBBOX1TDP1ALDH1A1PSMD14 | |
| Water SCHEMBL28099733 | 0.76 | PSMD14 (0.34) | TSHRPSMD14PLA2G1BMMP2RAD52 | |
| Water SCHEMBL3305359 | 0.76 | TSHR (0.38) | TSHRBBOX1TDP1ALDH1A1PSMD14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105986308-B | Electrolyte composition for removing flash and method for removing flash | 化研科技株式会社 | 2018-04-13 | — | — | CN | disclosed |
| CN-105986308-A | Electrolyte composition for removing flash and method for removing flash | 化研科技株式会社 | 2016-10-05 | — | — | CN | disclosed |