Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.33 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.33 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL2235032 | 0.95 | LMNA (0.67) | LMNAALDH1A1TP53ADRA2CKDM4E | |
| Benzene SCHEMBL7727940 | 0.95 | LMNA (0.67) | LMNAALDH1A1TP53ADRA2CKDM4E | |
| Benzene SCHEMBL10385913 | 0.84 | LMNA (0.43) | LMNAALDH1A1TP53ADRA2CKDM4E | |
| Benzene SCHEMBL27331000 | 0.84 | LMNA (0.50) | LMNAALDH1A1TP53ADRA2CKDM4E | |
| Isopropyl Alcohol SCHEMBL7078737 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL1236799 | 0.84 | ALDH1A1 (0.86) | LMNAALDH1A1TP53TSHRTDP1 | |
| Isopropyl Alcohol SCHEMBL27381930 | 0.84 | ALDH1A1 (0.86) | LMNAALDH1A1TP53TSHRTDP1 | |
| Isopropyl Alcohol SCHEMBL9317726 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL27448530 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL150260 | 0.84 | — | — |
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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110214778-A | A kind of mosquito attractant composition and preparation method thereof and application method | 广州超威生物科技有限公司 | 2019-09-10 | — | — | CN | claimed |
| CN-109880453-A | A method of preparing durable non-sticking cooking utensils coating | 浙江乐太新材料有限公司 | 2019-06-14 | — | — | CN | claimed |
| CN-109468176-A | A kind of kitchen appliance scavenger specially | 河南绿澳化工科技有限公司 | 2019-03-15 | — | — | CN | claimed |
| CN-109288687-A | A kind of more effect liquid crystal facial mask liquids and preparation method thereof | 华东理工大学 | 2019-02-01 | — | — | CN | claimed |
| CN-103987366-B | Environmentally friendly, low whitening compositions | 荷兰联合利华有限公司 | 2017-04-19 | — | — | CN | claimed |
| CN-104376894-B | Solar cell conductive front side silver paste | 江苏欧耐尔新型材料有限公司 | 2017-04-05 | — | — | CN | claimed |
| CN-104376894-A | Solar cell conductive positive silver pulp | ENVIRONMENTAL NATURAL CHEMICALS CO LTD | 2015-02-25 | — | — | CN | claimed |
| CN-1146399-C | Cleansing products | �����غʱ�����˾ | 2004-04-21 | — | — | CN | claimed |
| CN-1398582-A | Local acne treating device | RAVEY MEDICINES S A (GR) | 2003-02-26 | — | — | CN | claimed |
| CN-1274277-A | Cleansing and conditioning products for skin or hair with improved deposition of conditioning ingredients | PROCTER & GAMBLE (US) | 2000-11-22 | — | — | CN | claimed |
| CN-1239882-A | Cleaning product | PROCTER & GAMBLE (US) | 1999-12-29 | — | — | CN | claimed |
| CN-1239883-A | Cleaning product | PROCTER & GAMBLE (US) | 1999-12-29 | — | — | CN | claimed |
| CN-1238683-A | Cleaning product | PROCTER & GAMBLE (US) | 1999-12-15 | — | — | CN | claimed |
| CN-1238685-A | Cleansing products | PROCTER & GAMBLE (US) | 1999-12-15 | — | — | CN | claimed |
| CN-1238684-A | Cleansing products | PROCTER & GAMBLE (US) | 1999-12-15 | — | — | CN | claimed |
| CN-1238686-A | Cleaning product | PROCTER & GAMBLE (US) | 1999-12-15 | — | — | CN | claimed |
| CN-1226160-A | Device for the topical treatment of acne and method for the production thereof | LAVIPHARM SA (GR) | 1999-08-18 | — | — | CN | claimed |
| CN-105671106-B | Method for preparing glycosphingolipid by adopting olive oil fermentation method | 珀莱雅化妆品股份有限公司 | 2021-06-11 | — | — | CN | disclosed |
| US-4026712-A | NORBORNANE-2-CARBOXYLIC ACID | EASTMAN KODAK COMPANY (US) | 1977-05-31 | — | — | US | disclosed |
| US-3983270-A | Composition for boundary lubricant and method | ROCKWELL INTERNATIONAL CORPORATION (US) | 1976-09-28 | — | — | US | disclosed |