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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.57 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | CRHBP | P24387 | 2/20 | 0.57 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
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 SCHEMBL28196816 | 1.00 | MAPK1 (0.71) | MAPK1POLBALDH1A1LMNAKMT2A | |
| SCHEMBL167524 | 0.98 | MAPK1 (0.74) | MAPK1POLBALDH1A1LMNAKMT2A | |
| SCHEMBL25187033 | 0.98 | MAPK1 (0.74) | MAPK1POLBALDH1A1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL27456794 | 0.95 | MAPK1 (0.71) | MAPK1POLBALDH1A1LMNAKMT2A | |
| Ammonia Solution, Strong SCHEMBL9570816 | 0.95 | MAPK1 (0.71) | MAPK1POLBALDH1A1LMNAKMT2A | |
| SCHEMBL28375748 | 0.95 | MAPK1 (0.71) | MAPK1POLBALDH1A1LMNAKMT2A | |
| Biphenyl SCHEMBL27380379 | 0.95 | ALDH1A1 (0.75) | MAPK1POLBALDH1A1LMNAKMT2A | |
| Formaldehyde SCHEMBL28138326 | 0.93 | MAPK1 (0.69) | MAPK1POLBALDH1A1LMNAKMT2A | |
| Biphenyl SCHEMBL27846163 | 0.93 | ALDH1A1 (0.71) | MAPK1POLBALDH1A1LMNAKMT2A | |
| Methylamine SCHEMBL9267123 | 0.91 | MAPK1 (0.67) | MAPK1POLBALDH1A1LMNAKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166774-B | Induction expression of algae genes | 合成基因组股份有限公司 | 2025-04-11 | — | — | CN | disclosed |
| CN-113215115-A | Compositions and methods for in vitro viral genome engineering | C3J治疗公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-113166774-A | Inducible expression of algal genes | 合成基因组股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-107278227-B | Compositions and methods for in vitro viral genome engineering | C3J治疗公司 | 2021-05-28 | — | — | CN | disclosed |
| US-7364881-B1 | Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 2008-04-29 | — | — | US | disclosed |
| US-6797497-B1 | USED TO BREAKDOWN ORGANIC COMPOUNDS INTO MORE CELL BIOMASS AND LESS COMPLEX COMPOUNDS USING HYDROXYLAMINOBENZENE MUTASE; COMPRISES NITROREDUCTASES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE | 2004-09-28 | — | — | US | disclosed |