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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 6/20 | 0.68 |
| ▸ | PRKCI | P41743 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL78110 | 0.98 | — | — | |
| SCHEMBL9253280 | 0.98 | TBXAS1 (0.71) | TBXAS1PRKCICYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL2674176 | 0.96 | TBXAS1 (0.68) | TBXAS1PRKCICYP19A1 | |
| Hydrochloric Acid SCHEMBL4781930 | 0.96 | TBXAS1 (0.68) | TBXAS1PRKCICYP19A1 | |
| Bromide SCHEMBL28608395 | 0.96 | TBXAS1 (0.68) | TBXAS1PRKCICYP19A1CYP1A2CYP3A4 | |
| Fluoride SCHEMBL31379738 | 0.96 | TBXAS1 (0.68) | TBXAS1PRKCICYP19A1CYP1A2CYP3A4 | |
| Iodide SCHEMBL29834228 | 0.96 | TBXAS1 (0.68) | TBXAS1PRKCICYP19A1CYP1A2CYP3A4 | |
| SCHEMBL139976 | 0.91 | TBXAS1 (0.75) | TBXAS1PRKCI | |
| SCHEMBL3172850 | 0.89 | TBXAS1 (0.79) | TBXAS1 | |
| SCHEMBL3173441 | 0.89 | TBXAS1 (0.79) | TBXAS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7816315-B2 | Method of isolating a nucleic acid using a material containing an amino group and a carboxyl group and positively charged at a first pH and a solid material for nucleic acid isolation used for the method | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2010-10-19 | — | — | US | disclosed |
| US-20090012302-A1 | METHOD OF ISOLATING A NUCLEIC ACID USING A MATERIAL CONTAINING AN AMINO GROUP AND A CARBOXYL GROUP AND POSITIVELY CHARGED AT A FIRST PH AND A SOLID MATERIAL FOR NUCLEIC ACID ISOLATION USED FOR THE METHOD | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2009-01-08 | — | — | US | disclosed |
| US-7416845-B2 | pH dependent ion exchange material, solid substrate having the material immobilized on its surface, and method of isolating a nucleic acid using the material or the solid substrate | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2008-08-26 | — | — | US | disclosed |
| US-20060263812-A1 | pH dependent ion exchange material, solid substrate having the material immobilized on its surface, and method of isolating a nucleic acid using the material or the solid substrate | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2006-11-23 | — | — | 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 (1 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-20090012302-A1 | METHOD OF ISOLATING A NUCLEIC ACID USING A MATERIAL CONTAINING AN AMINO GROUP AND A CARBOXYL GROUP AND POSITIVELY CHARGED AT A FIRST PH AND A SOLID MATERIAL FOR NUCLEIC ACID ISOLATION USED FOR THE METHOD | NSUN2, ADAR, POLN | TBXAS1 4379/4885PRKCI 1969/4885CYP19A1 4767/4885 |
“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.