Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28068650 | 1.00 | TSHR (0.54) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL232226 | 1.00 | — | — | |
| Heptane SCHEMBL730699 | 0.96 | TSHR (0.61) | TSHRTHRBLMNASLC22A1ALDH1A1 | |
| Octane SCHEMBL28423459 | 0.96 | TSHR (0.61) | TSHRTHRBLMNASLC22A1ALDH1A1 | |
| Octane SCHEMBL28685821 | 0.96 | TSHR (0.61) | TSHRTHRBLMNASLC22A1ALDH1A1 | |
| Heptane SCHEMBL11839960 | 0.96 | TSHR (0.61) | TSHRTHRBLMNASLC22A1ALDH1A1 | |
| Nonane SCHEMBL3803426 | 0.96 | TSHR (0.61) | TSHRTHRBLMNASLC22A1ALDH1A1 | |
| Hexane SCHEMBL23782662 | 0.93 | TSHR (0.47) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Octane SCHEMBL28423377 | 0.93 | TSHR (0.57) | TSHRTHRBLMNASLC22A1ALDH1A1 | |
| Hexane SCHEMBL22689637 | 0.93 | TSHR (0.47) | TSHRTHRBLMNASLC22A1SLC22A2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118359517-A | Production process of anhydrous acetonitrile | 扬州贝尔新环境科技有限公司 | 2024-07-19 | — | — | CN | claimed |
| CN-118359517-A | Production process of anhydrous acetonitrile | 扬州贝尔新环境科技有限公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-118359517-A | Production process of anhydrous acetonitrile | 扬州贝尔新环境科技有限公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-113917051-B | Pretreatment method of biological sample | 四川大学华西医院 | 2023-12-29 | — | — | CN | disclosed |
| CN-117074553-A | Screening method of sweetener and sex hormone in food | 拱北海关技术中心 | 2023-11-17 | — | — | CN | disclosed |
| CN-113917051-A | Pretreatment method of biological sample | 四川大学华西医院 | 2022-01-11 | — | — | CN | disclosed |
| CN-109856260-B | Method for detecting N-dimethyl nitrosamine in meat products | 广电计量检测(南宁)有限公司 | 2021-12-03 | — | — | CN | disclosed |
| US-20210353652-A1 | TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO | AVACTA LIFE SCIENCES, LIMITED (GB) | 2021-11-18 | — | — | US | disclosed |
| EP-3801634-A2 | TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO | Trustees of Tufts College (US) | 2021-04-14 | — | — | EP | disclosed |
| CN-111929388-B | Extraction method, detection method and extraction device for flavors and fragrances in food | 广州检验检测认证集团有限公司 | 2021-04-06 | — | — | CN | disclosed |
| CN-112601554-A | Tumor microenvironment-activated drug-binding agent conjugates and uses related thereto | 塔夫茨大学信托人 | 2021-04-02 | — | — | CN | disclosed |
| CN-111929388-A | Extraction method, detection method and extraction device for flavors and fragrances in food | 广州检验检测认证集团有限公司 | 2020-11-13 | — | — | CN | disclosed |
| WO-2019236567-A9 | TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATED, AND USES RELATED THERETO | TRUSTEES OF TUFTS COLLEGE (US) | 2020-03-19 | — | — | WO | disclosed |
| CN-109856260-A | The detection method of N- N-nitrosodimethylamine in a kind of meat product | 广电计量检测(南宁)有限公司 | 2019-06-07 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210353652-A1 | TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO | CD47, VCAM1, CD44 | THRB 1574/4885MEN1 3526/4885TSHR 2415/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.