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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 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 | |
|---|---|---|---|---|
| SCHEMBL3056491 | 0.98 | ALDH1A1 (0.59) | ALDH1A1CYP1A2F3KDM4EHTT | |
| SCHEMBL28305385 | 0.87 | ALDH1A1 (0.48) | ALDH1A1CYP1A2F3KDM4EHTT | |
| SCHEMBL28575414 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2F3KDM4EHTT | |
| Methylsulfanylmethane SCHEMBL28306521 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP1A2F3KDM4EHTT | |
| SCHEMBL28575415 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2F3KDM4EHTT | |
| SCHEMBL3069464 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP1A2F3KDM4EHTT | |
| SCHEMBL9987943 | 0.77 | PPARG (0.44) | ALDH1A1CYP1A2F3KDM4EKMT2A | |
| SCHEMBL14917485 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP1A2F3HTTKMT2A | |
| SCHEMBL3526528 | 0.72 | ALDH1A1 (1.00) | ALDH1A1CYP1A2F3KDM4EHTT | |
| SCHEMBL981190 | 0.72 | ALDH1A1 (1.00) | ALDH1A1CYP1A2F3KDM4EHTT |
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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9388300-B2 | High structure carbon blacks | CABOT CORPORATION (US) | 2016-07-12 | — | — | US | claimed |
| US-12018162-B2 | Acrylic polymers for inkjet ink applications | CABOT CORPORATION (US) | 2024-06-25 | — | — | US | disclosed |
| EP-3294813-B1 | AMPHOTERIC POLYMERS AND USE IN INKJET INK COMPOSITIONS | CABOT CORP (US) | 2024-06-12 | — | — | EP | disclosed |
| EP-4248010-A1 | DIGITAL TEXTILE PRINTING INKS HAVING ZERO VOLATILE ORGANIC COMPOUND SOLVENTS THEREIN | International Imaging Materials Inc. (US) | 2023-09-27 | — | — | EP | disclosed |
| WO-2022108648-A1 | DIGITAL TEXTILE PRINTING INKS HAVING ZERO VOLATILE ORGANIC COMPOUND SOLVENTS THEREIN | INTERNATIONAL IMAGING MATERIALS, INC. (US) | 2022-05-27 | — | — | WO | disclosed |
| US-20220154019-A1 | DIGITAL TEXTILE PRINTING INKS HAVING ZERO VOLATILE ORGANIC COMPOUND SOLVENTS THEREIN | INTERNATIONAL IMAGING MATERIALS, INC. (US) | 2022-05-19 | — | — | US | disclosed |
| US-20220153047-A1 | DIGITAL TEXTILE PRINTING INKS HAVING ZERO VOLATILE ORGANIC COMPOUND SOLVENTS THEREIN | INTERNATIONAL IMAGING MATERIALS, INC. (US) | 2022-05-19 | — | — | US | disclosed |
| US-20220010152-A1 | POLYMERS FOR INKJET INK COMPOSITIONS | CABOT CORP (US) | 2022-01-13 | — | — | US | disclosed |
| US-20210395548-A1 | ACRYLIC POLYMERS FOR INKJET INK APPLICATIONS | CABOT CORPORATION | 2021-12-23 | — | — | US | disclosed |
| US-20210324214-A1 | DURABLE OUTDOOR INKJET INKS | INTERNATIONAL IMAGING MATERIALS, INC. (US) | 2021-10-21 | — | — | US | disclosed |
| EP-0943666-B1 | Ink, ink set, ink cartridge, recording unit, image recording apparatus and image recording method | CANON KK (JP) | 2006-09-27 | — | — | EP | disclosed |
| US-20060211791-A1 | Inkjet inks comprising modified pigments having attached polymeric groups | CABOT CORPORATION | 2006-09-21 | — | — | US | disclosed |
| WO-2006086660-A1 | INKJET INKS COMPRISING MODIFIED PIGMENTS HAVING ATTACHED POLYMERIC GROUPS | CABOT CORPORATION (US) | 2006-08-17 | — | — | WO | disclosed |
| EP-1354921-A2 | Process for alleviating bleeding between a black image and a color image during ink jet printingd | CANON KABUSHIKI KAISHA (JP) | 2003-10-22 | — | — | EP | disclosed |
| US-6332919-B2 | SELF DISPERSABLE CARBON BLACK THAT HAS HYDROPHILIC GROUPS DIRECTLY OR VIA OTHER ATOMIC GROUPS ATTACHED TO ITS SURFACE AND VARIOUS ORGANIC OR INORGANIC SALTS; COLORFASTNESS | CANON KABUSHIKI KAISHA (JP) | 2001-12-25 | — | — | US | disclosed |
| US-20010020431-A1 | Ink, Ink set, ink cartridge, recording unit, image recording apparatus and image recording method | OSUMI KOICHI (JP) | 2001-09-13 | — | — | US | disclosed |
| US-6280513-B1 | OPTICAL RECORDING MEDIA; MIXTURE OF CARBON BLACK AND SALT | CANON KABUSHIKI KAISHA (JP) | 2001-08-28 | — | — | US | disclosed |
| EP-0943666-A2 | Ink, ink set, ink cartridge, recording unit, image recording apparatus and image recording method | CANON KABUSHIKI KAISHA (JP) | 1999-09-22 | — | — | EP | disclosed |
| US-5843620-A | Image-forming material | KONICA CORPORATION (JP) | 1998-12-01 | — | — | US | disclosed |
| US-5736286-A | SWELLING TO WEAKEN ADHESION BETWEEN THE DEPOSITED IMAGES AND RECORDING MATERIAL | RICOH COMPANY, LTD. (JP) | 1998-04-07 | — | — | US | disclosed |