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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.40 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.36 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | LPO | P22079 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL40842 | 0.98 | KMT2A (0.46) | KMT2AALDH1A1POLBTLR8FDPS | |
| Hydrochloric Acid SCHEMBL28330230 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Hydrochloric Acid SCHEMBL204294 | 0.96 | TLR8 (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Fluoride SCHEMBL15156374 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Iodide SCHEMBL526909 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Methane SCHEMBL28225457 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Hydrochloric Acid SCHEMBL28021855 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Bromide SCHEMBL15532009 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Bromide SCHEMBL204550 | 0.96 | KMT2A (0.44) | KMT2AALDH1A1POLBTLR8FDPS | |
| Bromide SCHEMBL28281143 | 0.94 | KMT2A (0.43) | KMT2AALDH1A1POLBTLR8FDPS |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111560005-B | Preparation method of 2-thiopheneacetyl chloride | 安达市海纳贝尔化工有限公司 | 2022-02-18 | — | — | CN | claimed |
| CN-111560005-A | Preparation method of 2-thiopheneacetyl chloride | 安达市海纳贝尔化工有限公司 | 2020-08-21 | — | — | CN | claimed |
| CN-109796627-A | A kind of stable type phosphate plasticizer and preparation method thereof | 天津利海石化有限公司 | 2019-05-24 | — | — | CN | claimed |
| CN-109134377-A | A kind of preparation method of ionic liquid | 郑州工程技术学院 | 2019-01-04 | — | — | CN | claimed |
| CN-111560005-B | Preparation method of 2-thiopheneacetyl chloride | 安达市海纳贝尔化工有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-111560005-A | Preparation method of 2-thiopheneacetyl chloride | 安达市海纳贝尔化工有限公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-109134377-A | A kind of preparation method of ionic liquid | 郑州工程技术学院 | 2019-01-04 | — | — | CN | disclosed |
| CN-101489993-B | Method for producing polyfunctional compound | NITTO DENKO CORP | 2013-11-06 | — | — | CN | disclosed |
| US-8168764-B2 | Polyfunctional compound, optical recording material, optical recording medium, optical recording/reproducing apparatus, optical waveguide material, and photo-alignment film material | NITTO DENKO CORPORATION (JP) | 2012-05-01 | — | — | US | disclosed |
| US-8158737-B2 | Method for production of polyfunctional compound | NITTO DENKO CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-8158736-B2 | Method for production of polyfunctional compound | NITTO DENKO CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20110098454-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2011-04-28 | — | — | US | disclosed |
| US-20110046358-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2011-02-24 | — | — | US | disclosed |
| US-7884167-B2 | conducting a Michael addition of a compound (A) having a hydrogen atom of pKa less than or equal to 15 to a (meth)acrylate or a (meth)acrylamide (B), in which at least one of the compounds (A) and (B) has a photoisomerization group; optical recording material, optical waveguide material | NITTO DENKO CORPORATION (JP) | 2011-02-08 | — | — | US | disclosed |
| US-20100076216-A1 | LIQUID CRYSTAL COMPOUND, OPTICAL ELEMENT, POLARIZING PLATE, IMAGE DISPLAY APPARATUS, AND OPTICAL RECORDING MATERIAL | NITTO DENKO CORPORATION (JP) | 2010-03-25 | — | — | US | disclosed |
| US-20090209741-A1 | POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL | NITTO DENKO CORPORATION (JP) | 2009-08-20 | — | — | US | disclosed |
| CN-101489993-A | Method for producing polyfunctional compound | NITTO DENKO CORP (JP) | 2009-07-22 | — | — | CN | disclosed |
| US-20090182107-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2009-07-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110046358-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | ADCY10, ADCY5, ADCY1 | FDPS 950/4885MEN1 646/4885AGTR1 4031/4885 |
| US-20090209741-A1 | POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL | CRY1, HAX1, F12 | FDPS 4234/4885MEN1 720/4885AGTR1 2391/4885 |
| US-20110098454-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | ADCY10, ADCY5, ADCY1 | FDPS 1057/4885MEN1 608/4885AGTR1 4036/4885 |
| US-20100076216-A1 | LIQUID CRYSTAL COMPOUND, OPTICAL ELEMENT, POLARIZING PLATE, IMAGE DISPLAY APPARATUS, AND OPTICAL RECORDING MATERIAL | RCC1, NCAPD2, OCIAD1 | FDPS 2303/4885MEN1 892/4885AGTR1 3303/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.