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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 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 | |
|---|---|---|---|---|
| SCHEMBL470628 | 0.97 | GABRA1 (0.48) | GABRA1GABRB2TSHRACHECYP2A6 | |
| Iodide SCHEMBL9504981 | 0.95 | GABRA1 (0.46) | GABRA1GABRB2TSHRACHECYP2A6 | |
| Hydrochloric Acid SCHEMBL659883 | 0.95 | GABRA1 (0.46) | GABRA1GABRB2TSHRACHECYP2A6 | |
| Bromide SCHEMBL660019 | 0.95 | GABRA1 (0.46) | GABRA1GABRB2TSHRACHECYP2A6 | |
| Boric Acid SCHEMBL7183370 | 0.89 | GABRA1 (0.47) | GABRA1GABRB2TSHRACHECYP2A6 | |
| SCHEMBL7180493 | 0.89 | GABRA1 (0.47) | GABRA1GABRB2TSHRACHECYP2A6 | |
| Acetic Acid SCHEMBL9506298 | 0.85 | GABRA1 (0.44) | GABRA1GABRB2CYP1A2ALDH1A1CA2 | |
| Phosphoric Acid SCHEMBL7178344 | 0.85 | GABRA1 (0.44) | GABRA1GABRB2TSHRACHEALDH1A1 | |
| SCHEMBL11204082 | 0.82 | TSHR (0.45) | GABRA1GABRB2TSHRACHECYP2A6 | |
| SCHEMBL15658394 | 0.82 | TSHR (0.45) | GABRA1GABRB2TSHRACHECYP2A6 |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3904416-B1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | WANHUA CHEMICAL GROUP CO LTD (CN) | 2023-04-19 | — | — | EP | claimed |
| EP-3904416-A1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | Wanhua Chemical Group Co., Ltd. (CN) | 2021-11-03 | — | — | EP | claimed |
| WO-2020132940-A1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | 万华化学集团股份有限公司 | 2020-07-02 | — | — | WO | claimed |
| US-12012658-B2 | Composition, kit, and method for treating substrate | FUJIFILM CORPORATION (JP) | 2024-06-18 | — | — | US | disclosed |
| US-11795265-B2 | Macromonomeric stabilizer, preparation method thereof, and method for preparing polymeric polyol | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2023-10-24 | — | — | US | disclosed |
| EP-3904416-B1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | WANHUA CHEMICAL GROUP CO LTD (CN) | 2023-04-19 | — | — | EP | disclosed |
| US-20220119960-A1 | COMPOSITION, KIT, AND METHOD FOR TREATING SUBSTRATE | FUJIFILM CORPORATION (JP) | 2022-04-21 | — | — | US | disclosed |
| US-20220017682-A1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2022-01-20 | — | — | US | disclosed |
| EP-3904416-A1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | Wanhua Chemical Group Co., Ltd. (CN) | 2021-11-03 | — | — | EP | disclosed |
| WO-2021005980-A1 | COMPOSITION, KIT, AND TREATMENT METHOD FOR SUBSTRATE | 富士フイルム株式会社 | 2021-01-14 | — | — | WO | disclosed |
| WO-2020132940-A1 | MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL | 万华化学集团股份有限公司 | 2020-07-02 | — | — | WO | disclosed |
| US-5962680-A | Processes for producing epsilon caprolactams | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-10-05 | — | — | US | disclosed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | disclosed |
| US-5919978-A | Processes for producing aldehyde acids or salts | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-06 | — | — | US | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |
| EP-0872469-A1 | Process for producing aldehyde acids or salts thereof | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-21 | — | — | EP | disclosed |
| EP-0337322-B1 | PROCESS FOR PRODUCING MONOSILANE | MITSUBISHI KASEI CORPORATION (JP) | 1993-07-21 | — | — | EP | disclosed |
| US-4904460-A | Process for producing monosilane | MITSUBISHI KASEI CORPORATION (JP) | 1990-02-27 | — | — | US | disclosed |
| EP-0337322-A2 | Process for producing monosilane | MITSUBISHI KASEI CORPORATION (JP) | 1989-10-18 | — | — | EP | disclosed |
| US-4206067-A | Thermally stabilized erosion-inhibited functional fluids containing perhalometal compounds and an organic base | CHEVRON RESEARCH COMPANY (US) | 1980-06-03 | — | — | US | disclosed |