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 SCHEMBL6142606 | 0.82 | — | — | |
| Water SCHEMBL29152753 | 0.82 | — | — | |
| Water SCHEMBL27455594 | 0.82 | — | — | |
| Water SCHEMBL8143527 | 0.82 | — | — | |
| Water SCHEMBL20292 | 0.82 | — | — | |
| Water SCHEMBL1759 | 0.82 | — | — | |
| Water SCHEMBL4114559 | 0.82 | — | — | |
| Water SCHEMBL23069276 | 0.67 | — | — | |
| Water SCHEMBL10835633 | 0.67 | — | — | |
| Potassium Ion SCHEMBL9658126 | 0.67 | — | — |
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-112156766-B | Two-dimensional layered metal calcium/indium double hydroxide and preparation method and application thereof | 天津大学 | 2022-08-19 | — | — | CN | claimed |
| CN-112156766-A | Two-dimensional layered metal calcium/indium double hydroxide and preparation method and application thereof | 天津大学 | 2021-01-01 | — | — | CN | claimed |