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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 SCHEMBL11026721 | 1.00 | — | — | |
| SCHEMBL18087875 | 0.97 | — | — | |
| SCHEMBL15907404 | 0.97 | — | — | |
| SCHEMBL185224 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27606537 | 0.94 | DNM1 (0.39) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| Ammonia Solution, Strong SCHEMBL11248182 | 0.94 | DNM1 (0.35) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| Ammonia Solution, Strong SCHEMBL3991943 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL16799772 | 0.94 | — | — | |
| Alcohol SCHEMBL11309077 | 0.93 | GSR (0.32) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL2171079 | 0.92 | DNM1 (0.46) | DNM1ALDH1A1MEN1KMT2ATSHR |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0101334-B1 | HIGH ALKALINITY METALLIC DETERGENT-DISPERSANT ADDITIVE FOR LUBRICATING OILS | OROGIL (FR) | 1987-11-11 | — | — | EP | claimed |
| EP-0102254-B1 | SUPERALKALISED DETERGENT-DISPERSANT ADDITIVE FOR LUBRICATING OILS | OROGIL (FR) | 1986-12-30 | — | — | EP | claimed |
| EP-0102255-B1 | PROCESS FOR THE PREPARATION OF SULPHURIZED ALKYLPHENATES FOR USE AS LUBRICATING OIL ADDTIVES | OROGIL (FR) | 1986-09-10 | — | — | EP | claimed |
| EP-0102255-A1 | Process for the preparation of sulphurized alkylphenates for use as lubricating oil addtives | OROGIL (FR) | 1984-03-07 | — | — | EP | claimed |
| EP-0102254-A1 | Superalkalised detergent-dispersant additive for lubricating oils | OROGIL (FR) | 1984-03-07 | — | — | EP | claimed |
| EP-0101334-A2 | High alkalinity metallic detergent-dispersant additive for lubricating oils | OROGIL (FR) | 1984-02-22 | — | — | EP | claimed |
| EP-0001949-A1 | Lubricant compositions that contain phosphorus and nitrogen | OROGIL (FR) | 1979-05-16 | — | — | EP | claimed |
| EP-0101334-B1 | HIGH ALKALINITY METALLIC DETERGENT-DISPERSANT ADDITIVE FOR LUBRICATING OILS | OROGIL (FR) | 1987-11-11 | — | — | EP | disclosed |
| EP-0102255-B1 | PROCESS FOR THE PREPARATION OF SULPHURIZED ALKYLPHENATES FOR USE AS LUBRICATING OIL ADDTIVES | OROGIL (FR) | 1986-09-10 | — | — | EP | disclosed |
| EP-0076197-B1 | ADDITIVE FOR THE REINFORCEMENT OF POLYMERS AND IN PARTICULAR ELASTOMERS WITH MINERAL CHARGES | RHONE-POULENC CHIMIE DE BASE (FR) | 1985-05-22 | — | — | EP | disclosed |
| EP-0102255-A1 | Process for the preparation of sulphurized alkylphenates for use as lubricating oil addtives | OROGIL (FR) | 1984-03-07 | — | — | EP | disclosed |
| EP-0102254-A1 | Superalkalised detergent-dispersant additive for lubricating oils | OROGIL (FR) | 1984-03-07 | — | — | EP | disclosed |
| EP-0101334-A2 | High alkalinity metallic detergent-dispersant additive for lubricating oils | OROGIL (FR) | 1984-02-22 | — | — | EP | disclosed |
| EP-0034970-B1 | PROCESS FOR COUPLING AN ELASTOMER AND A FILLER, ESPECIALLY ON THE BASIS OF A SILICIUM COMPOSITE | RHONE-POULENC CHIMIE DE BASE (FR) | 1983-09-07 | — | — | EP | disclosed |
| EP-0076197-A1 | Additive for the reinforcement of polymers and in particular elastomers with mineral charges | RHONE-POULENC CHIMIE DE BASE (FR) | 1983-04-06 | — | — | EP | disclosed |
| EP-0034970-A1 | Process for coupling an elastomer and a filler, especially on the basis of a silicium composite | RHONE-POULENC CHIMIE DE BASE (FR) | 1981-09-02 | — | — | EP | disclosed |
| EP-0001949-B1 | LUBRICANT COMPOSITIONS THAT CONTAIN PHOSPHORUS AND NITROGEN | OROGIL (FR) | 1981-07-29 | — | — | EP | disclosed |
| EP-0032076-A2 | Process for improving the compatibility of oils and fillers in rubber compositions | RHONE-POULENC CHIMIE DE BASE (FR) | 1981-07-15 | — | — | EP | disclosed |
| EP-0001949-A1 | Lubricant compositions that contain phosphorus and nitrogen | OROGIL (FR) | 1979-05-16 | — | — | EP | disclosed |