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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | FAAH | O00519 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | DGKA | P23743 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
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 SCHEMBL7324500 | 0.98 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Heptane SCHEMBL2674826 | 0.98 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL28253632 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL7668987 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL1027829 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL5135401 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL134181 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL6082064 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL5134710 | 0.97 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL28494315 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHTSHR |
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 461 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3896050-B1 | METHOD FOR PREPARING CANNABIDIOL BY MEANS OF HIGH-SPEED COUNTERCURRENT CHROMATOGRAPHY SEPARATION AND PURIFICATION | TECHSON INDUSTRY COMPANY LTD (HK) | 2024-06-19 | — | — | EP | claimed |
| CN-117652615-A | Method for removing phthalate compounds from food extract | 浙江大学 | 2024-03-08 | — | — | CN | claimed |
| CN-112159440-B | Phenolic glycoside compound and preparation method and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2024-01-30 | — | — | CN | claimed |
| CN-114656437-B | Genkwanin with URAT1 inhibitory activity and preparation method and application thereof | 中国海洋大学 | 2023-08-08 | — | — | CN | claimed |
| CN-116332825-A | Preparation method of aristolochia lactam component in houttuynia cordata | 复旦大学 | 2023-06-27 | — | — | CN | claimed |
| CN-111879886-B | Efficient separation and detection method for active components of peppers | 山东省分析测试中心 | 2023-05-05 | — | — | CN | claimed |
| CN-113402574-B | Method for separating and purifying flavonoids compounds in ethyl acetate phase of polygonum multiflorum by high-speed counter-current chromatography | 江西省科学院应用化学研究所 | 2023-03-14 | — | — | CN | claimed |
| CN-115721671-A | Method for extracting and separating effective components of liquorice root in full-industrial-chain cooperation manner | 李玉山 | 2023-03-03 | — | — | CN | claimed |
| CN-111157646-B | High-throughput screening method and application of high-speed counter-current chromatography solvent system | 山东中医药大学 | 2023-02-03 | — | — | CN | claimed |
| CN-115260032-B | Method for separating and purifying ethyl p-methoxycinnamate and/or ethyl cinnamate by high-speed counter-current chromatography | 中国科学院昆明植物研究所 | 2023-01-06 | — | — | CN | claimed |
| CN-101967119-A | Method for purifying arecoline | NANJING ZELANG AGRI DEV CO LTD | 2011-02-09 | — | — | CN | claimed |
| CN-101914053-A | Method for preparing indolylacetic acid and abscisic acid from seaweeds | UNIV YANTAI | 2010-12-15 | — | — | CN | claimed |
| CN-101880264-A | Method of preparing taxol by separating 10-deacetyl taxol acylate | DAN XU | 2010-11-10 | — | — | CN | claimed |
| CN-101870720-A | Preparation method of ursolic acid and application of ursolic acid in medicines for treating tumor diseases | UNIV ZHEJIANG | 2010-10-27 | — | — | CN | claimed |
| CN-101735645-A | Method for removing spiciness from capsicum red pigment | XIAODAN HU | 2010-06-16 | — | — | CN | claimed |
| CN-101709059-A | Chinese magnoliavine fruit monomer composition separation preparation method | BEIJING NATURE PROSPERITY TECH | 2010-05-19 | — | — | CN | claimed |
| CN-100453536-C | Separation preparing method for high purity lactone of largehead atractylodes | SHANGHAI CHINESE MEDICINE PHAR (CN) | 2009-01-21 | — | — | CN | claimed |
| CN-100434135-C | Method for separating and purifying natural product using three-phase counter current chromatograph | PROCESS ENG INST CAS (CN) | 2008-11-19 | — | — | CN | claimed |
| CN-1982302-A | Separation preparing method for high purity lactone of largehead atractylodes | SHANGHAI CHINESE MEDICINE PHAR (CN) | 2007-06-20 | — | — | CN | claimed |
| CN-1663956-A | Process for extracting and separating aloe chromone from aloe leaves | UNIV BEIJING TECH & BUSINESS (CN) | 2005-09-07 | — | — | CN | claimed |