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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL9463396 | 0.88 | — | — | |
| Tetramethylammonium Ion SCHEMBL4809976 | 0.81 | — | — | |
| Water SCHEMBL28229115 | 0.81 | — | — | |
| Water SCHEMBL28524213 | 0.80 | — | — | |
| SCHEMBL6305268 | 0.77 | — | — | |
| Water SCHEMBL3067495 | 0.74 | — | — | |
| SCHEMBL29351766 | 0.73 | — | — | |
| SCHEMBL28053977 | 0.72 | — | — | |
| SCHEMBL28115778 | 0.70 | — | — | |
| SCHEMBL28452679 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108191296-A | A kind of concrete waterproofer | 常德市万福达环保节能建材有限公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-108191296-A | A kind of concrete waterproofer | 常德市万福达环保节能建材有限公司 | 2018-06-22 | — | — | CN | disclosed |