Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Dibenzyl Disulfide. 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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 4/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Dibenzyl Disulfide SCHEMBL27269628 | 1.00 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL160895 | 0.97 | HSD17B10 (0.52) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL16332737 | 0.97 | HSD17B10 (0.52) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL5313009 | 0.94 | ALDH1A1 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL31120434 | 0.94 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL28328349 | 0.94 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL32679343 | 0.94 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL1741790 | 0.94 | IDO1 (0.52) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL30254005 | 0.94 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Dibenzyl Disulfide SCHEMBL28928181 | 0.94 | ALDH1A1 (0.50) | HSD17B10ALDH1A1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105969318-B | Nano fluid heat exchange agent and preparation method and application thereof | 武汉优能纳米流体技术有限公司 | 2017-05-03 | — | — | CN | claimed |
| CN-105969318-A | Nano fluid heat exchange agent and preparation method and application thereof | 武汉优能纳米流体技术有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-107356628-A | A kind of nano-fluid coolant heat exchange property rapid measurement device and evaluation method | 武汉优能纳米流体技术有限公司 | 2017-11-17 | — | — | CN | disclosed |
| CN-105969318-B | Nano fluid heat exchange agent and preparation method and application thereof | 武汉优能纳米流体技术有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-105969318-A | Nano fluid heat exchange agent and preparation method and application thereof | 武汉优能纳米流体技术有限公司 | 2016-09-28 | — | — | CN | disclosed |