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.
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 | |
|---|---|---|---|---|
| SCHEMBL27050 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL20597137 | 0.95 | — | — | |
| Acetic Acid SCHEMBL8397576 | 0.92 | TGFBR1 (0.47) | — | |
| Ethylene Glycol SCHEMBL28954709 | 0.92 | TGFBR1 (0.42) | — | |
| Propane SCHEMBL27440 | 0.92 | TGFBR1 (0.42) | — | |
| Methoxymethane SCHEMBL1903521 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL1323421 | 0.88 | TDP1 (0.55) | — | |
| SCHEMBL15271275 | 0.88 | TGFBR1 (0.39) | — | |
| Ether SCHEMBL1901432 | 0.84 | THRB (0.47) | — | |
| Acrylic Acid SCHEMBL27397347 | 0.84 | ALOX15 (0.42) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767407-B2 | Process for manufacturing a flexographic printing plate using a multilayer recording element suitable for the production of flexographic printing plates by digital information transmission | BASF COATINGS AG (DE) | 2004-08-18 | — | — | EP | disclosed |
| EP-1294786-A2 | USE OF A POLYMER REACTION PRODUCT | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096408-A2 | USE OF A POLYMER REACTION PRODUCT | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-20 | — | — | WO | disclosed |
| EP-0797120-B1 | Multilayer recording element suitable for the production of flexographic printing plates by digital information transmission | BASF COATINGS AG (DE) | 2000-08-16 | — | — | EP | disclosed |
| EP-0767407-B1 | Multilayer recording element suitable for the production of flexographic printing plates by digital information transmission | BASF COATINGS AG (DE) | 2000-05-10 | — | — | EP | disclosed |
| EP-0797120-A2 | Multilayer recording element suitable for the production of flexographic printing plates by digital information transmission | BASF Lacke + Farben AG (DE) | 1997-09-24 | — | — | EP | disclosed |
| EP-0767407-A1 | Multilayer recording element suitable for the production of flexographic printing plates by digital information transmission | BASF Lacke und Farben AG (DE) | 1997-04-09 | — | — | EP | disclosed |
| EP-0606642-B1 | Photosensitive recording element and method for the production of a relief printing plate | BASF LACKE & FARBEN (DE) | 1996-03-13 | — | — | EP | disclosed |
| EP-0606642-A1 | Photosensitive recording element and method for the production of a relief printing plate | BASF LACKE + FARBEN AG (DE) | 1994-07-20 | — | — | EP | disclosed |
| EP-0599068-A2 | Light-sensitive recording material | BASF Lacke + Farben AG (DE) | 1994-06-01 | — | — | EP | disclosed |
| US-4056453-A | PIGMENT, BENZOPHENONE, MICHLER'S KETONE, ACRYLIC POLYMER | BASF AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |