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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 9/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GRK2 | P25098 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.30 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.30 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.30 |
| ▸ | PTPN22 | Q9Y2R2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14608705 | 0.92 | BBOX1 (0.37) | BBOX1POLBGRK2L3MBTL1MEN1 | |
| Betaine SCHEMBL6917420 | 0.89 | TSHR (0.38) | BBOX1POLBGRK2L3MBTL1MEN1 | |
| SCHEMBL22264055 | 0.85 | BBOX1 (0.53) | BBOX1POLBGRK2L3MBTL1MEN1 | |
| SCHEMBL20590708 | 0.81 | BBOX1 (0.36) | BBOX1POLBGRK2L3MBTL1MEN1 | |
| SCHEMBL563029 | 0.79 | APP (0.39) | LMNAAPPBLM | |
| SCHEMBL918271 | 0.78 | BBOX1 (0.46) | BBOX1LMNAAPPBLM | |
| SCHEMBL23794905 | 0.78 | ENPP2 (0.40) | ENPP2 | |
| Water SCHEMBL1913464 | 0.78 | TDP1 (0.36) | BBOX1POLBGRK2L3MBTL1MEN1 | |
| SCHEMBL14608930 | 0.78 | ACHE (0.52) | BBOX1POLBGRK2L3MBTL1MEN1 | |
| Water SCHEMBL4920659 | 0.77 | EPHX2 (0.32) | BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116622615-A | Soluble microcarriers, methods of making and methods of using the same | 蔡协致 | 2023-08-22 | — | — | CN | disclosed |
| CN-109963600-B | Polymer for capturing or separating leukocytes, device, method for producing same, and use thereof | 普瑞博生技股份有限公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-109963600-A | Capture or separate polymer, device, its manufacturing method and its application of white blood cell | 普瑞博生技股份有限公司 | 2019-07-02 | — | — | CN | disclosed |