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 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 | |
| Hexane SCHEMBL1334503 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11684584-B2 | Branched peg molecules and related compositions and methods | GENEVANT SCIENCES GMBH (CH) | 2023-06-27 | — | — | US | disclosed |
| US-20200078313-A1 | BRANCHED PEG MOLECULES AND RELATED COMPOSITIONS AND METHODS | Genevant Sciences GmbH. (CH) | 2020-03-12 | — | — | US | disclosed |
| EP-3562510-A1 | BRANCHED PEG MOLECULES AND RELATED COMPOSITIONS AND METHODS | Genevant Sciences GmbH (CH) | 2019-11-06 | — | — | EP | disclosed |
| WO-2018126084-A1 | BRANCHED PEG MOLECULES AND RELATED COMPOSITIONS AND METHODS | PHASERX, INC. (US) | 2018-07-05 | — | — | WO | disclosed |
| US-20040005649-A1 | Anti-stilbene antibodies | SCRIPPS RESEARCH INSTITUTE, THE | 2004-01-08 | — | — | US | disclosed |
| WO-2002022629-A1 | ANTI-STILBENE ANTIBODIES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-03-21 | — | — | WO | 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 (2 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-20200078313-A1 | BRANCHED PEG MOLECULES AND RELATED COMPOSITIONS AND METHODS | CLTB, EGFR, HDGF | THRB 2648/4885MEN1 4437/4885TSHR 2755/4885 |
| US-11684584-B2 | Branched peg molecules and related compositions and methods | CLTB, EGFR, HDGF | THRB 2648/4885MEN1 4437/4885TSHR 2755/4885 |
“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.