Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 SCHEMBL62334 | 0.89 | — | — | |
| SCHEMBL6683904 | 0.89 | — | — | |
| Water SCHEMBL3680779 | 0.80 | — | — | |
| SCHEMBL29154291 | 0.80 | — | — | |
| Water SCHEMBL11525340 | 0.80 | — | — | |
| SCHEMBL23910144 | 0.80 | — | — | |
| Silver SCHEMBL61471 | 0.80 | — | — | |
| Water SCHEMBL23209656 | 0.80 | — | — | |
| Water SCHEMBL21357004 | 0.80 | — | — | |
| SCHEMBL7702717 | 0.80 | — | — |
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-105638552-B | The fishery cultivating device and application method of carbon dioxide in a kind of removable water body | 中国水产科学研究院淡水渔业研究中心 | 2019-04-09 | — | — | CN | disclosed |