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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.57 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.57 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.57 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.47 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CTRC | Q99895 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29618929 | 0.82 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| SCHEMBL30610922 | 0.82 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| SCHEMBL84188 | 0.82 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| Bromide SCHEMBL7032662 | 0.80 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| Biphenyl SCHEMBL28340553 | 0.80 | BCAT2 (0.55) | SLC6A3CES2CES1TSHRMEN1 | |
| Benzene SCHEMBL28343003 | 0.80 | BCAT2 (0.55) | SLC6A3CES2CES1TSHRMEN1 | |
| SCHEMBL875658 | 0.80 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CES2CES1 | |
| SCHEMBL30277841 | 0.79 | BCAT2 (0.59) | CES2CES1TSHRMEN1KMT2A | |
| SCHEMBL27676197 | 0.79 | BCAT2 (0.59) | CES2CES1TSHRMEN1KMT2A | |
| SCHEMBL29972427 | 0.77 | CES2 (0.67) | CES2CES1TSHRMAPTAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0995613-B1 | Heat-sensitive recording material | FUJI PHOTO FILM CO LTD (JP) | 2004-09-29 | — | — | EP | disclosed |
| US-6339041-B1 | TRANSPARENCY, GLOSSINESS, LIGHT-FASTNESS, SCRATCH RESISTANCE, FRICTION RESISTANCE AND LUBRICITY | FUJI PHOTO FILM CO., LTD. (JP) | 2002-01-15 | — | — | US | disclosed |
| US-6261993-B1 | Heat-sensitive recording material | FUJI PHOTO FILM CO., LTD. (JP) | 2001-07-17 | — | — | US | disclosed |
| US-6197724-B1 | DISPERSION STABILITY; UNIFORM IMAGE QUALITY; TRANSPARENCY, GLOSSINESS, AND LIGHT-FASTNESS CAN BE FORMED WITH HIGH COLOR-DEVELOPING SENSITIVITY | FUJI PHOTO FILM CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0995613-A2 | Heat-sensitive recording material | FUJI PHOTO FILM CO., LTD. (JP) | 2000-04-26 | — | — | EP | disclosed |
| EP-0941867-A1 | Heat-sensitive recording material having a protective layer | FUJI PHOTO FILM CO., LTD. (JP) | 1999-09-15 | — | — | EP | disclosed |