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 | 1/20 | 0.55 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.55 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.55 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.55 |
| ▸ | ALOX5AP | P20292 | 8/20 | 0.61 |
| ▸ | PLA2G2A | P14555 | 6/20 | 0.60 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.60 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.55 |
| ▸ | RGS12 | O14924 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 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 SCHEMBL9140717 | 1.00 | ALOX5AP (0.61) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| SCHEMBL9680113 | 0.99 | ALOX5AP (0.62) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| SCHEMBL9140666 | 0.96 | PLA2G2A (0.65) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| Water SCHEMBL9146626 | 0.95 | CYP3A4 (0.63) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| Water SCHEMBL9142991 | 0.95 | PTGS2 (0.63) | ALOX5APPLA2G2APLA2G1BPTGDR2PTGS2 | |
| Water SCHEMBL9146635 | 0.95 | CYP3A4 (0.63) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| Water SCHEMBL9142980 | 0.95 | PTGS2 (0.63) | ALOX5APPLA2G2APLA2G1BPTGDR2PTGS2 | |
| SCHEMBL2746925 | 0.95 | ALOX5AP (0.68) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9138311 | 0.94 | ALOX5AP (0.67) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 | |
| SCHEMBL9447692 | 0.94 | CYP3A4 (0.64) | ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5420289-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS AND CYTOPROTECTIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-30 | — | — | US | disclosed |
| US-5229516-A | Antiinflammatory agents, antiallergens and cytoprotective agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-07-20 | — | — | US | disclosed |