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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 SCHEMBL9061772 | 0.98 | DNM1 (0.42) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| Water SCHEMBL8147555 | 0.98 | DNM1 (0.42) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| SCHEMBL7101036 | 0.96 | DNM1 (0.43) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| SCHEMBL10810473 | 0.96 | DNM1 (0.43) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| SCHEMBL6303106 | 0.96 | DNM1 (0.43) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| SCHEMBL5606114 | 0.96 | DNM1 (0.43) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| Iodide SCHEMBL4385130 | 0.95 | DNM1 (0.42) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL2825348 | 0.95 | MEN1 (0.45) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL233516 | 0.95 | MEN1 (0.45) | SIGMAR1DNM1POLBALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL11703706 | 0.95 | MEN1 (0.45) | SIGMAR1DNM1POLBALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1535362-A2 | ALKALINE CELL WITH POLYMER ELECTROLYTE | THE GILLETTE COMPANY (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004012281-A2 | ALKALINE CELL WITH POLYMER ELECTROLYTE | THE GILLETTE COMPANY (US) | 2004-02-05 | — | — | WO | disclosed |