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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 SCHEMBL1358117 | 0.80 | MAPT (0.44) | TSHRSLC22A16MAPT | |
| Water SCHEMBL28099902 | 0.79 | PSMD14 (0.34) | PSMD14PLA2G1BMMP2ATG4BTSHR | |
| SCHEMBL10257082 | 0.79 | LMNA (0.40) | PSMD14PLA2G1BMMP2RAD52ATG4B | |
| SCHEMBL890513 | 0.77 | — | — | |
| SCHEMBL10274560 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27915919 | 0.77 | PSMD14 (0.41) | PSMD14PLA2G1BMMP2RAD52ATG4B | |
| SCHEMBL27094642 | 0.77 | CA1 (0.36) | PSMD14PLA2G1BMMP2RAD52ATG4B | |
| Water SCHEMBL28834512 | 0.76 | TSHR (0.37) | TSHR | |
| SCHEMBL12192711 | 0.76 | PSMD14 (0.35) | PSMD14PLA2G1BMMP2ATG4BTSHR | |
| Water SCHEMBL28099730 | 0.76 | TSHR (0.40) | PSMD14PLA2G1BMMP2RAD52ATG4B |
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 |
|---|---|---|---|---|---|---|---|
| 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 |