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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SI | P14410 | 1/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29563459 | 0.92 | — | — | |
| SCHEMBL29945077 | 0.92 | MGAM (0.53) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL30504880 | 0.92 | — | — | |
| Water SCHEMBL23701696 | 0.88 | MGAM (0.50) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL2128645 | 0.88 | MGAM (0.56) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL1608 | 0.88 | — | — | |
| SCHEMBL10389469 | 0.88 | MGAM (0.56) | MGAMGAASIMGAM2ALDH1A1 | |
| Water SCHEMBL28301592 | 0.85 | MGAM (0.47) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL22325638 | 0.84 | — | — | |
| SCHEMBL9505534 | 0.84 | MGAM (0.53) | MGAMGAASIMGAM2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1940948-A4 | WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME | NIPPON CATALYTIC CHEM IND (JP) | 2009-05-27 | — | — | EP | disclosed |
| EP-1940948-A1 | WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME | Nippon Shokubai Co., Ltd. (JP) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007037522-A1 | WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2007-04-05 | — | — | WO | disclosed |