Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benomyl. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.98 |
| ▸ | ASAH1 | Q13510 | 7/20 | 0.58 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.45 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benomyl SCHEMBL15681 | 0.99 | TSHR (1.00) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL8379451 | 0.99 | TSHR (1.00) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL29379464 | 0.99 | TSHR (1.00) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL28721488 | 0.96 | TSHR (0.94) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL27841656 | 0.96 | TSHR (0.94) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL23632884 | 0.95 | TSHR (0.92) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL28422686 | 0.95 | TSHR (0.92) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| Benomyl SCHEMBL6912357 | 0.95 | TSHR (0.92) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| SCHEMBL9578770 | 0.94 | TSHR (0.91) | TSHRALDH1A1ASAH1IRAK4NPSR1 | |
| SCHEMBL205803 | 0.92 | TSHR (0.87) | TSHRALDH1A1ASAH1IRAK4NPSR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999744-B2 | EFFECT ENHANCER FOR AGRICULTURAL CHEMICAL | KAO CORP (JP) | 2009-07-22 | — | — | EP | disclosed |
| EP-0999744-B1 | EFFECT ENHANCER FOR AGRICULTURAL CHEMICAL | KAO CORP (JP) | 2004-09-29 | — | — | EP | disclosed |
| US-6313074-B1 | ADDUCT OR POLYMER OF ETHYLENE OXIDE AND PROPYLENE OXIDE MODIFIED WITH FATTY ALCOHOL AS EMULSIFIER/DISPERSANT FOR INSECTICIDES, HERBICIDES, ACARICIDES, BACTERICIDES, PLANT GROWTH REGULATORS | KAO CORPORATION (JP) | 2001-11-06 | — | — | US | disclosed |
| EP-0999744-A1 | EFFECT ENHANCER FOR AGRICULTURAL CHEMICAL | Kao Corporation (JP) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999003345-A1 | EFFECT ENHANCER FOR AGRICULTURAL CHEMICAL | KAO CORPORATION (JP) | 1999-01-28 | — | — | WO | disclosed |