Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL317069 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL2364155 | 0.92 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10433102 | 0.92 | — | — | |
| SCHEMBL16137723 | 0.86 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL21238585 | 0.86 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL18035951 | 0.86 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9785542 | 0.84 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL3664118 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL587935 | 0.80 | — | — | |
| SCHEMBL22667559 | 0.72 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4408838-A1 | DIOXAZINES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES | Zevra Denmark A/S (DK) | 2024-08-07 | — | — | EP | disclosed |
| WO-2023053007-A1 | DIOXAZINES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES | KEMPHARM DENMARK A/S (DK) | 2023-04-06 | — | — | WO | disclosed |