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 SCHEMBL966054 | 0.91 | — | — | |
| Water SCHEMBL5479890 | 0.91 | — | — | |
| SCHEMBL27861421 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10391275 | 0.83 | — | — | |
| Sodium Hypochlorite SCHEMBL5239 | 0.82 | — | — | |
| Calcium Hypochloride SCHEMBL20269 | 0.82 | — | — | |
| SCHEMBL9842290 | 0.82 | — | — | |
| SCHEMBL5544620 | 0.82 | — | — | |
| SCHEMBL9064948 | 0.82 | MAPK1 (0.60) | — | |
| Hydrogen Peroxide SCHEMBL28160505 | 0.77 | — | — |
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-105888784-A | Automotive exhaust gas treating device | 青岛大学 | 2016-08-24 | — | — | CN | claimed |