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 | |
|---|---|---|---|---|
| SCHEMBL28053977 | 0.93 | — | — | |
| SCHEMBL28048242 | 0.89 | — | — | |
| SCHEMBL6305268 | 0.89 | — | — | |
| Potassium Ion SCHEMBL28218094 | 0.89 | — | — | |
| Water SCHEMBL28229832 | 0.81 | — | — | |
| Water SCHEMBL3067495 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL28260581 | 0.78 | MEN1 (0.37) | — | |
| Water SCHEMBL27908083 | 0.76 | — | — | |
| Water SCHEMBL15312363 | 0.71 | — | — | |
| Water SCHEMBL11303769 | 0.71 | — | — |
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-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 |