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 | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 3/20 | 0.63 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.63 |
| ▸ | ITGAL | P20701 | 3/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.55 |
| ▸ | REN | P00797 | 1/20 | 0.52 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.50 |
| ▸ | QPCT | Q16769 | 1/20 | 0.50 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.48 |
| ▸ | GGT1 | P19440 | 1/20 | 0.48 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL468830 | 0.98 | ITGB2 (0.64) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL15683044 | 0.98 | ITGB2 (0.64) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6026427 | 0.98 | ITGB2 (0.64) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL15080457 | 0.88 | REN (0.54) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL9860623 | 0.88 | ITGB2 (0.57) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL27413426 | 0.86 | ITGB2 (0.67) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL18676311 | 0.85 | SLC6A5 (0.59) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL21048720 | 0.85 | ITGB2 (0.59) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6806998 | 0.84 | ITGB2 (0.62) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL5808674 | 0.84 | HTR1D (0.51) | ITGB2ICAM1ITGALCYP3A4SLC7A5 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5757408-A | PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING | XEROX CORPORATION (US) | 1998-05-26 | — | — | US | claimed |
| US-5683793-A | Ink jet transparencies | XEROX CORPORATION (US) | 1997-11-04 | — | — | US | claimed |
| US-5589277-A | INK JET PRINTING, AQUEOUS INKS, FAST DRYING | XEROX CORPORATION (US) | 1996-12-31 | — | — | US | claimed |
| EP-0667246-A1 | Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds | XEROX CORPORATION (US) | 1995-08-16 | — | — | EP | claimed |
| CN-116829949-A | Compositions for detecting or measuring analytes | 伯蒂斯有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-112194632-A | Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof | 特瑞海德公司 | 2021-01-08 | — | — | CN | disclosed |
| CN-106573895-B | Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof | 特瑞海德公司 | 2020-11-24 | — | — | CN | disclosed |
| US-5140055-A | Improved high speed grip performance | BRIDGESTONE CORPORATION (JP) | 1992-08-18 | — | — | US | disclosed |
| EP-0251760-A2 | Rubber composition | Bridgestone Corporation (JP) | 1988-01-07 | — | — | EP | disclosed |