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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 SCHEMBL817597 | 0.96 | ALDH1A1 (0.53) | ALDH1A1TSHRTHRB | |
| Ammonia Solution, Strong SCHEMBL28285762 | 0.96 | ALDH1A1 (0.53) | ALDH1A1TSHRTHRB | |
| SCHEMBL19970453 | 0.95 | ALDH1A1 (0.60) | ALDH1A1TSHRTHRB | |
| SCHEMBL22247 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28287098 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRTHRB | |
| SCHEMBL5839297 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| SCHEMBL217593 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| SCHEMBL989839 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| SCHEMBL987828 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB | |
| SCHEMBL9639226 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRB |
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 153 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113445052-A | Differential etching solution suitable for MSAP (multiple-site-sensitive protection) process | 南通群安电子材料有限公司 | 2021-09-28 | — | — | CN | claimed |
| CN-112607823-A | Oil-water separation additive for industrial cleaning agent and use method thereof | 三达奥克化学股份有限公司 | 2021-04-06 | — | — | CN | claimed |
| EP-3225678-A2 | AM FCC PROCESS WITH TWO REACTION ZONES | China Petroleum & Chemical Corporation (CN) | 2017-10-04 | — | — | EP | claimed |
| US-9771529-B2 | Process for producing light olefins and aromatics | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2017-09-26 | — | — | US | claimed |
| US-20140275673-A1 | Process for producing light olefins and aromatics | CHINA PETROLEUM CHEMICAL CORPORATION (CN) | 2014-09-18 | — | — | US | claimed |
| US-20090288985-A1 | Process for producing light olefins and aromatics | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2009-11-26 | — | — | US | claimed |
| EP-1734098-A1 | A PROCESS OF PRODUCTION OF LOWER OLEFINS AND AROMATICAS | China Petroleum & Chemical Corporation (CN) | 2006-12-20 | — | — | EP | claimed |
| EP-0187768-B1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS | FERGASON JAMES L (US) | 1993-11-03 | — | — | EP | claimed |
| US-5130828-A | Liquid crystal temperature sensor and materials | MANCHESTER R&D PARTNERSHIP (US) | 1992-07-14 | — | — | US | claimed |
| US-4884877-A | Liquid crystal temperature sensor and materials utilizing microencapsulated liquid crystal | MANCHESTER R & D PARTNERSHIP (US) | 1989-12-05 | — | — | US | claimed |
| EP-0187768-A4 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. | FERGASON JAMES L | 1989-03-09 | — | — | EP | claimed |
| EP-0187768-A1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. | FERGASON JAMES L | 1986-07-23 | — | — | EP | claimed |
| WO-1985005467-A1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS | FERGASON JAMES L | 1985-12-05 | — | — | WO | claimed |
| WO-2023232507-A1 | PROCESS FOR RECOVERING SAFLUFENACIL FROM PROCESS STREAMS | BASF Agro B.V. (NL) | 2023-12-07 | — | — | WO | disclosed |
| CN-114249710-A | Herbicidal uracils | 巴斯夫欧洲公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-109311842-B | Herbicidal uracils | 巴斯夫欧洲公司 | 2022-03-25 | — | — | CN | disclosed |
| WO-1985005467-A1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS | FERGASON JAMES L | 1985-12-05 | — | — | WO | disclosed |
| US-4490559-A | SYNTHESIS GAS AND A GROUP VII COMPOUND CATALYST | SHELL OIL COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4447648-A | USING SYNTHESIS GAS AND A GROUP VIII COMPOUND | UNION CARBIDE CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |
| US-4297513-A | Process for the preparation of benzophenone thioethers | CIBA-GEIGY CORPORATION (US) | 1981-10-27 | — | — | US | disclosed |