Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Dienochlor. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.92 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.92 |
| ▸ | RECQL | P46063 | 1/20 | 0.92 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.92 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL165983 | 0.70 | ALDH1A1 (1.00) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL8662803 | 0.64 | MEN1 (0.50) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL7634905 | 0.64 | MEN1 (0.50) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL10535572 | 0.64 | MEN1 (0.50) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL11380953 | 0.64 | ALDH1A1 (0.60) | MEN1THRBRECQLKMT2AALDH1A1 | |
| Cyclooctane SCHEMBL3271413 | 0.62 | ALDH1A1 (0.79) | MEN1THRBRECQLKMT2AALDH1A1 | |
| Benzene SCHEMBL10926850 | 0.62 | TSHR (0.47) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL31170706 | 0.62 | MEN1 (0.47) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL11712660 | 0.60 | MEN1 (0.44) | MEN1THRBRECQLKMT2AALDH1A1 | |
| SCHEMBL12855378 | 0.58 | MEN1 (0.44) | MEN1THRBRECQLKMT2AALDH1A1 |
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-4335140-A | Insecticidal trifluoroethanimidothioate disulfides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-06-15 | — | — | US | disclosed |
| US-4323578-A | Fluorinated carbamate insecticides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-04-06 | — | — | US | disclosed |
| US-4291054-A | 4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENEAMINOOXY DERIVATIVES, CHEMICAL INTERMEDIATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-09-22 | — | — | US | disclosed |