Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.39 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11879378 | 1.00 | MAPT (0.40) | MAPTSLC22A16TSHRTDP1CHRM2 | |
| Water SCHEMBL9858909 | 0.97 | MAPT (0.44) | MAPTSLC22A16TSHRTDP1CHRM2 | |
| SCHEMBL9748138 | 0.97 | — | — | |
| SCHEMBL9748670 | 0.97 | — | — | |
| SCHEMBL193840 | 0.97 | — | — | |
| Iodide SCHEMBL1502780 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL1502834 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL194776 | 0.93 | — | — | |
| Water SCHEMBL341614 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9748547 | 0.93 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112106232-B | Li formation on cathode ceramic particles for lithium ion batteries by onium metal oxyfluoride precursors m MO x F y Shell and shell | 塞克姆公司 | 2023-07-07 | — | — | CN | claimed |
| US-11201321-B1 | LimMOxFy shell formation on cathode ceramic particle for Li ion battery through onium metal oxide fluoride precursor | SACHEM, INC. (US) | 2021-12-14 | — | — | US | claimed |
| US-20210367227-A1 | LimMOxFy SHELL FORMATION ON CATHODE CERAMIC PARTICLE FOR LI ION BATTERY THROUGH ONIUM METAL OXIDE FLUORIDE PRECURSOR | SACHEM, INC. | 2021-11-25 | — | — | US | claimed |
| CN-112106232-A | LimMOxFy shell formation on cathode ceramic particles for lithium ion batteries by onium metal oxyfluoride precursors | 塞克姆公司 | 2020-12-18 | — | — | CN | claimed |
| EP-3714502-A1 | LimMOxFy SHELL FORMATION ON CATHODE CERAMIC PARTICLE FOR LI ION BATTERY THROUGH ONIUM METAL OXIDE FLUORIDE PRECURSOR | Sachem, Inc. (US) | 2020-09-30 | — | — | EP | claimed |
| CN-112106232-B | Li formation on cathode ceramic particles for lithium ion batteries by onium metal oxyfluoride precursors m MO x F y Shell and shell | 塞克姆公司 | 2023-07-07 | — | — | CN | disclosed |
| US-11201321-B1 | LimMOxFy shell formation on cathode ceramic particle for Li ion battery through onium metal oxide fluoride precursor | SACHEM, INC. (US) | 2021-12-14 | — | — | US | disclosed |
| US-20210367227-A1 | LimMOxFy SHELL FORMATION ON CATHODE CERAMIC PARTICLE FOR LI ION BATTERY THROUGH ONIUM METAL OXIDE FLUORIDE PRECURSOR | SACHEM, INC. | 2021-11-25 | — | — | US | disclosed |
| CN-112106232-A | LimMOxFy shell formation on cathode ceramic particles for lithium ion batteries by onium metal oxyfluoride precursors | 塞克姆公司 | 2020-12-18 | — | — | CN | disclosed |
| EP-3714502-A1 | LimMOxFy SHELL FORMATION ON CATHODE CERAMIC PARTICLE FOR LI ION BATTERY THROUGH ONIUM METAL OXIDE FLUORIDE PRECURSOR | Sachem, Inc. (US) | 2020-09-30 | — | — | EP | disclosed |
| CN-108699204-A | Polyisocyanate composition, coating composition, water-based coating composition, and coated substrate | 旭化成株式会社 | 2018-10-23 | — | — | CN | disclosed |