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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.34 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL6679536 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPK1MAPTLMNAHTT | |
| SCHEMBL1259791 | 0.97 | ALDH1A1 (0.48) | ALDH1A1MAPK1MAPTLMNAHTT | |
| SCHEMBL2168449 | 0.94 | ALDH1A1 (0.50) | ALDH1A1MAPK1MAPTLMNAHTT | |
| Ethylene SCHEMBL17363129 | 0.92 | ALDH1A1 (0.43) | ALDH1A1MAPK1MAPTLMNAHTT | |
| Ethylene SCHEMBL28751464 | 0.92 | ALDH1A1 (0.43) | ALDH1A1MAPK1MAPTLMNAHTT | |
| SCHEMBL10981541 | 0.81 | CRHBP (0.48) | ALDH1A1MAPK1MAPTLMNAHTT | |
| Perbromobenzene SCHEMBL28319870 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MAPK1TDP1CRHBPCRHR2 | |
| SCHEMBL12546954 | 0.80 | MAPK1 (0.52) | ALDH1A1MAPK1MAPTLMNAHTT | |
| SCHEMBL9330814 | 0.79 | CRHBP (0.46) | ALDH1A1MAPK1MAPTLMNAHTT | |
| SCHEMBL11878896 | 0.79 | CRHBP (0.46) | ALDH1A1MAPK1MAPTLMNAHTT |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112501044-B | Bacterial strain for degrading polybrominated diphenyl ethers and application of bacterial strain in remediation of polluted soil or underground water | 新加坡国立大学 | 2022-09-06 | — | — | CN | claimed |
| CN-114611954-A | Ecological risk evaluation method and system for mangrove forest ecosystem | 生态环境部华南环境科学研究所 | 2022-06-10 | — | — | CN | claimed |
| CN-113717620-A | Enhanced anti-explosion coating and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-11-30 | — | — | CN | claimed |
| CN-113714067-A | Spraying method of explosion-proof coating | 中国石油化工股份有限公司 | 2021-11-30 | — | — | CN | claimed |
| CN-112646309-B | Flame-retardant ABS plastic, preparation method thereof and application thereof in welding machine shell and electric welding auxiliary plastic tool | 台州市安安焊接设备有限公司 | 2021-09-14 | — | — | CN | claimed |
| CN-112646309-A | Flame-retardant ABS plastic, preparation method thereof and application thereof in welding machine shell and electric welding auxiliary plastic tool | 台州市安安焊接设备有限公司 | 2021-04-13 | — | — | CN | claimed |
| CN-112210062-A | Catalyst for preparing slow-rebound polyurethane foam and preparation method thereof | 苏州思德新材料科技有限公司 | 2021-01-12 | — | — | CN | claimed |
| CN-111040409-A | High-temperature-resistant corrosion-resistant environment-friendly transformer insulating material and preparation method thereof | 安徽亿脉通讯科技有限公司 | 2020-04-21 | — | — | CN | claimed |
| CN-110871604-A | Flame-retardant automotive interior leather and preparation method thereof | 南通亿华塑胶有限公司 | 2020-03-10 | — | — | CN | claimed |
| CN-106350001-B | organosilicon sealant ceramized at high temperature and preparation method thereof | 广州集泰化工股份有限公司 | 2019-12-17 | — | — | CN | claimed |
| EP-0137290-B1 | RESIN COMPOSITION HAVING ELECTROMAGNETIC WAVE SHIELDING EFFECT | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-11-25 | — | — | EP | claimed |
| US-4704413-A | ACRYLIC NITRILE-DIENE-VINYLAROMATIC TERPOLYMER, PLASTICIZER, CONDUCTIVE FILLER | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-11-03 | — | — | US | claimed |
| US-4696956-A | ACRYLONITRILE-BUTADIENE-STYRENE TERPOLYMER | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-09-29 | — | — | US | claimed |
| US-4604413-A | CARBON FIBERS UNIFORM DISPERSED IN RESIN | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1986-08-05 | — | — | US | claimed |
| US-4602051-A | Resin composition having electromagnetic wave shielding effort | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1986-07-22 | — | — | US | claimed |
| EP-0137290-A2 | Resin composition having electromagnetic wave shielding effect | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1985-04-17 | — | — | EP | claimed |
| EP-3073510-B1 | SYSTEMS AND METHODS FOR MASS CALIBRATION | THERMO FINNIGAN LLC (US) | 2024-12-04 | — | — | EP | disclosed |
| CN-115572423-A | Flame-retardant foam heat-insulation material and preparation method thereof | 惠州市国鹏科技有限公司 | 2023-01-06 | — | — | CN | disclosed |
| US-4602051-A | Resin composition having electromagnetic wave shielding effort | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1986-07-22 | — | — | US | disclosed |
| EP-0137290-A2 | Resin composition having electromagnetic wave shielding effect | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1985-04-17 | — | — | EP | disclosed |