Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Toluene. 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 | 3/20 | 0.61 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.38 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.37 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27846434 | 0.97 | ACHE (0.65) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL29087109 | 0.93 | LMNA (0.52) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL1115294 | 0.92 | LMNA (0.58) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL27523558 | 0.90 | ACHE (0.55) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL2949186 | 0.90 | LMNA (0.55) | ACHELMNATSHRALOX12ADRB1 | |
| Toluene SCHEMBL11325202 | 0.86 | ACHE (0.65) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL5320366 | 0.86 | ACHE (0.65) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL23491537 | 0.82 | ACHE (0.79) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL1289937 | 0.82 | ACHE (0.79) | ACHELMNATSHRALOX12HPGD | |
| Cyclooctane SCHEMBL16909938 | 0.82 | ACHE (0.79) | ACHELMNATSHRALOX12HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105824193-B | Photosensitive polymer combination, the cured film formed by it and with the image display device of the cured film | 东友精细化工有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-105785717-B | Photosensitive polymer combination, the photocuring pattern formed by them and the image display device for having used it | 东友精细化工有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-105824194-B | Photosensitive polymer combination, the photocuring pattern formed by it and with its image display device | 东友精细化工有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-105867069-B | Negative light-sensitive resin combination, the photocuring pattern and image display device formed using it | 东友精细化工有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110072925-A | Fenestrated membrane, its manufacturing method and the display device including the fenestrated membrane | 三星SDI株式会社 | 2019-07-30 | — | — | CN | disclosed |
| CN-107239003-A | Photosensitive composition, colour filter and image display device | 东友精细化工有限公司 | 2017-10-10 | — | — | CN | disclosed |
| CN-105867069-A | Negative-type photosensitive resin composition, photocuring pattern formed by using the same and image display device | 东友精细化工有限公司 | 2016-08-17 | — | — | CN | disclosed |