Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of 4-Nitrotoluene. 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 | 0.95 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL73252 | 0.97 | ACHE (1.00) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL2484690 | 0.97 | ACHE (1.00) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL6751959 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28481150 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28124015 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL9734611 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28533556 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL9402408 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL29272601 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28284448 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 |
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-112908709-B | Working electrolyte with high ripple current resistance for capacitor | 广州金立电子有限公司 | 2022-10-11 | — | — | CN | claimed |
| CN-112908709-A | Working electrolyte with high ripple current resistance for capacitor | 广州金立电子有限公司 | 2021-06-04 | — | — | CN | claimed |
| CN-112908709-B | Working electrolyte with high ripple current resistance for capacitor | 广州金立电子有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-113636939-A | Preparation method of 4,4' -dinitrobibenzyl | 三峡大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-112908709-A | Working electrolyte with high ripple current resistance for capacitor | 广州金立电子有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-108238951-A | The synthetic method of procaine hydrochloride pharmaceutical intermediate paranitrobenzoic acid | 成都切斯特科技有限公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-106977408-A | Preparation method of parafuchsin leuco base | 杨桂廷 | 2017-07-25 | — | — | CN | disclosed |