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 | 0.78 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.78 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL6552991 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL9496882 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL7646305 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL6866527 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL261427 | 1.00 | — | — | |
| Hexane SCHEMBL1481628 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL3805267 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL8520510 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL3951242 | 1.00 | TSHR (0.78) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL21802131 | 1.00 | TSHR (0.78) | 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110845546-A | Substituted metallocene catalysts | 埃克森美孚化学专利公司 | 2020-02-28 | — | — | CN | disclosed |
| EP-3022234-B1 | SUBSTITUTED METALLOCENE CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC (US) | 2018-12-26 | — | — | EP | disclosed |
| US-9458254-B2 | Substituted metallocene catalysts | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2016-10-04 | — | — | US | disclosed |
| EP-3022234-A1 | SUBSTITUTED METALLOCENE CATALYSTS | ExxonMobil Chemical Patents Inc. (US) | 2016-05-25 | — | — | EP | disclosed |
| WO-2015009479-A1 | SUBSTITUTED METALLOCENE CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2015-01-22 | — | — | WO | disclosed |
| US-20150025209-A1 | Substituted Metallocene Catalysts | EXXONMOBIL CHEMICAL PATENTS INC. | 2015-01-22 | — | — | US | disclosed |
| CN-102292360-B | Polyfunctional polymer of high stereoregularity and method for producing the same | UNIV TOKUSHIMA | 2014-07-02 | — | — | CN | disclosed |
| US-8703890-B2 | Polyfunctional polymer of high stereoregularity and method for producing the same | THE UNIVERSITY OF TOKUSHIMA (JP) | 2014-04-22 | — | — | US | disclosed |
| CN-102093166-B | Method for synthesizing marine natural product by using high optical activity enantiomer | UNIV CHINA AGRICULTURAL | 2014-04-09 | — | — | CN | disclosed |
| EP-2390274-B1 | POLYFUNCTIONAL POLYMER OF HIGH STEREOREGULARITY AND METHOD FOR PRODUCING THE SAME | UNIV TOKUSHIMA (JP) | 2014-01-01 | — | — | EP | disclosed |
| US-20100305286-A1 | CATALYSTS | BOREALIS TECHNOLOGY OY (FI) | 2010-12-02 | — | — | US | disclosed |
| EP-2223944-A1 | Process for producing semicrystalline propylene polymers | Borealis AG (AT) | 2010-09-01 | — | — | EP | disclosed |
| CN-101815727-A | catalysts | BOREALIS TECH OY | 2010-08-25 | — | — | CN | disclosed |
| EP-2215129-A2 | CATALYSTS | Borealis Technology OY (FI) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009027075-A2 | CATALYSTS | BOREALIS TECHNOLOGY OY (FI) | 2009-03-05 | — | — | WO | disclosed |
| CN-1295204-C | Novel synthetic method for 4-(1,5-dimethyl-1-vinyl-4-hexenyl) phenol | GUANGZHOU INST CHEMISTRY CAS (CN) | 2007-01-17 | — | — | CN | disclosed |
| CN-1683298-A | Novel synthetic method for 4-(1,5-dimethyl-1-vinyl-4-hexenyl) phenol | GUANGZHOU INST CHEMISTRY CAS (CN) | 2005-10-19 | — | — | CN | disclosed |
| US-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |
| EP-0826687-A1 | Carbapenem derivatives and antimicrobial agents comprising the same | SUNTORY LIMITED (JP) | 1998-03-04 | — | — | EP | 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-20100305286-A1 | CATALYSTS | H1-2, CCNL2, H1-3 | THRB 4005/4885MEN1 1004/4885TSHR 3022/4885 |
“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.