Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Tolyl Boronic Acid. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.94 |
| ▸ | LPL | P06858 | 3/20 | 0.94 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.94 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.65 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.65 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.65 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.65 |
| ▸ | ENPP2 | Q13822 | 6/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Tolyl Boronic Acid SCHEMBL5600068 | 0.97 | CA2 (1.00) | CA2LPLLIPGORAI1ORAI2 | |
| Tolyl Boronic Acid SCHEMBL129197 | 0.97 | CA2 (1.00) | CA2LPLLIPGORAI1ORAI2 | |
| Tolyl Boronic Acid SCHEMBL8889893 | 0.94 | CA2 (0.94) | CA2LPLLIPGORAI1ORAI2 | |
| Tolyl Boronic Acid SCHEMBL19268206 | 0.94 | CA2 (0.94) | CA2LPLLIPGORAI1ORAI2 | |
| Tolyl Boronic Acid SCHEMBL3395642 | 0.89 | CA2 (0.84) | CA2LPLLIPGORAI1ORAI2 | |
| SCHEMBL1853563 | 0.89 | CA2 (0.84) | CA2LPLLIPGORAI1ORAI2 | |
| Tolyl Boronic Acid SCHEMBL20694970 | 0.87 | CA2 (0.80) | CA2LPLLIPGORAI1ORAI2 | |
| SCHEMBL2309007 | 0.85 | LPL (0.76) | CA2LPLLIPGORAI1ORAI2 | |
| Tolyl Boronic Acid SCHEMBL21180370 | 0.85 | CA2 (0.76) | CA2LPLLIPGORAI1ORAI2 | |
| SCHEMBL257916 | 0.83 | CA2 (0.73) | CA2LPLLIPGORAI1ORAI2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130208222-A1 | REACTIVE MESOGEN COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, METHOD OF MANUFACTURING A DISPLAY PANEL, AND DISPLAY PANEL | SAMSUNG DISPLAY CO., LTD. (KR) | 2013-08-15 | — | — | US | disclosed |
| EP-2328903-A1 | SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010030954-A1 | SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2010-03-18 | — | — | WO | 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-20130208222-A1 | REACTIVE MESOGEN COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, METHOD OF MANUFACTURING A DISPLAY PANEL, AND DISPLAY PANEL | MDN1, LENG8, MDK | ACHE 3606/4885CA2 4622/4885LPL 418/4885 |
“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.