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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL811779 | 0.97 | TSHR (0.36) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| Cyclohexane SCHEMBL9122052 | 0.97 | TSHR (0.36) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL813891 | 0.94 | ALDH1A1 (0.32) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL1515581 | 0.88 | PKM (0.32) | ALDH1A1LMNA | |
| SCHEMBL28061196 | 0.83 | CYP2C19 (0.39) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL15059605 | 0.83 | ALDH1A1 (0.41) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL579748 | 0.83 | CYP2C19 (0.39) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28557040 | 0.83 | ALDH1A1 (0.41) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3077244 | 0.81 | SPHK1 (0.33) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL28070089 | 0.81 | CYP2C19 (0.38) | TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6531431-B2 | Sealed mixture of fluorine-based oil and fluorinated ether diamide | MINEBEA CO., LTD. (JP) | 2003-03-11 | — | — | US | disclosed |
| US-6420321-B1 | PERFLUORINATED ETHER DIAMIDE ADDITIVE; LUBRICANTS WITH HIGH PERMEABILITY, LOW TORQUE AND OUTGAS; LONG LIFE; HIGH DENSITY, HIGH SPEED COMPUTER DISK DRIVES | MINEBEA CO., LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| US-20010012822-A1 | Pivot ass'y bearing | MINEBEA CO., LTD. (JP) | 2001-08-09 | — | — | US | disclosed |