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 SCHEMBL28299747 | 0.92 | — | — | |
| Water SCHEMBL27626644 | 0.92 | — | — | |
| SCHEMBL239639 | 0.91 | — | — | |
| SCHEMBL21801783 | 0.91 | — | — | |
| SCHEMBL31531053 | 0.91 | — | — | |
| SCHEMBL27498339 | 0.91 | LMNA (0.39) | — | |
| SCHEMBL2549770 | 0.91 | — | — | |
| SCHEMBL28056883 | 0.87 | — | — | |
| Water SCHEMBL4447354 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27625637 | 0.87 | — | — |
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-107163004-A | A kind of method of environmentally friendly preparing epoxy chloropropane by using glycerol method | 天津科技大学 | 2017-09-15 | — | — | CN | disclosed |