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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 known ✓ | P30542 | 3/20 | 0.40 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.31 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 SCHEMBL845969 | 1.00 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Water SCHEMBL2230233 | 1.00 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Water SCHEMBL8139598 | 0.95 | CASP1 (0.44) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL29485005 | 0.94 | — | — | |
| SCHEMBL9579151 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL25853 | 0.94 | — | — | |
| SCHEMBL8465809 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL29900242 | 0.94 | — | — | |
| SCHEMBL9583239 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL175612 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB |
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 1213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122059669-A | Grouting material based on stone doping and preparation process thereof | 中铁十七局集团建筑工程有限公司 | 2026-05-19 | — | — | CN | claimed |
| CN-122036294-A | Chloride corrosion resistant concrete in severe cold environment and preparation method thereof | 鄂尔多斯应用技术学院 | 2026-05-15 | — | — | CN | claimed |
| CN-119430780-B | Heavy filling material and preparation method and application thereof | 旭辰矿业科技发展(徐州)有限公司 | 2025-06-24 | — | — | CN | claimed |
| CN-120157509-A | Preparation method of cast-in-situ foam concrete and foam concrete | 中建海龙科技有限公司 | 2025-06-17 | — | — | CN | claimed |
| CN-119430773-B | Method for preparing high-performance low-carbon red mud base polymer | 重庆三峡学院 | 2025-06-13 | — | — | CN | claimed |
| CN-120136495-A | Polymer material for repairing and controlling micro-cracks of segment concrete and preparation method thereof | 宁波蛟川构件有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-120136477-A | Additive capable of prolonging open time of cement-based tile adhesive and preparation method thereof | 浙江宏升化工有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-120136481-A | Special gelling excitation auxiliary agent for baking-free bricks and preparation method of baking-free bricks | 中铁科学研究院集团有限公司 | 2025-06-13 | — | — | CN | claimed |
| CN-120117867-A | Durable anti-cracking fiber mortar and preparation method thereof | 湖北泽恩易展建材有限公司 | 2025-06-10 | — | — | CN | claimed |
| CN-120081646-A | Ceramic-like base insulating anchoring material and preparation method and application thereof | 汝州郑铁三佳水泥制品有限公司 | 2025-06-03 | — | — | CN | claimed |
| CN-110627453-B | Marine engineering ultrahigh-performance concrete and preparation method thereof | 安徽海螺建材设计研究院有限责任公司 | 2022-02-15 | — | — | CN | claimed |
| CN-114032887-A | Grouting reinforcement material for in-service pile foundation of weak stratum and grouting process thereof | 山东高速股份有限公司 | 2022-02-11 | — | — | CN | claimed |
| CN-110451829-B | Phosphogypsum modifier and preparation method thereof | 苏州市兴邦化学建材有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-112194436-B | Machine-sprayed putty material and preparation method thereof | 广东博智林机器人有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-110790550-B | Stone waste residue powder fiber mortar and preparation method thereof | 佛山科学技术学院 | 2022-02-01 | — | — | CN | claimed |
| CN-113998916-A | Composite early strength agent for cement material in low-temperature environment and application thereof | 四川华西绿舍建材有限公司 | 2022-02-01 | — | — | CN | claimed |
| CN-113955993-A | Low-cementing-material self-compacting Yangtze river dredging ultrafine sand concrete | 浙江交工集团股份有限公司 | 2022-01-21 | — | — | CN | claimed |
| CN-110436423-B | Graphite phase carbon nitride film and preparation method and application thereof | 华北理工大学 | 2021-05-04 | — | — | CN | claimed |
| CN-109735119-A | A kind of environment protection adhesive and preparation method thereof for low emission density board | 肖彬 | 2019-05-10 | — | — | CN | claimed |
| US-4139597-A | Removal and recovery of sulfur oxides from gas streams with melamine | TENNESSEE VALLEY AUTHORITY (US) | 1979-02-13 | — | — | US | claimed |