Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Heptane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 SCHEMBL1730411 | 0.96 | TSHR (0.50) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Octane SCHEMBL28183932 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Heptane SCHEMBL29253938 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Heptane SCHEMBL6217 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Decane SCHEMBL11321882 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Isopropyl Alcohol SCHEMBL28547099 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Dodecane SCHEMBL15048503 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Heptane SCHEMBL9263200 | 0.96 | TSHR (0.61) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Hexane SCHEMBL8457635 | 0.93 | TSHR (0.47) | TSHRTHRBSPHK1LMNAALDH1A1 | |
| Hexane SCHEMBL7784664 | 0.93 | TSHR (0.47) | TSHRTHRBSPHK1LMNAALDH1A1 |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114276394-B | Citicoline spherical crystal and preparation method thereof | 成都海博为药业有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-113528603-B | Pig brain proliferation-promoting peptide-in-brain phospholipid co-production method | 浙江省农业科学院 | 2024-04-12 | — | — | CN | disclosed |
| CN-114524746-B | Preparation method of lacosamide crystal form | 河北广祥制药有限公司 | 2022-11-11 | — | — | CN | disclosed |
| CN-111909001-B | Deep purification method of high-purity glycerol | 禾大西普化学（四川）有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-114524746-A | Preparation method of lacosamide crystal form | 河北广祥制药有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-114324621-A | Improved method for detecting lysophosphatidylethanolamine in pharmaceutical preparation | 北京泰德制药股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-114276394-A | Citicoline spherical crystal and preparation method thereof | 成都海博为药业有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-112174848-B | Oleoylethanolamide compound with antibacterial activity in parasitic loranthus, preparation method and application thereof | 吉林大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-113528603-A | Method for co-producing pig brain proliferation promoting peptide-phospholipid in brain | 浙江省农业科学院 | 2021-10-22 | — | — | CN | disclosed |
| CN-112174848-A | Oleoylethanolamide compound with antibacterial activity in parasitic loranthus, preparation method and application thereof | 吉林大学 | 2021-01-05 | — | — | CN | disclosed |
| WO-2007141502-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |
| WO-2007141517-A1 | BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |
| WO-2007141545-A1 | COMPOUNDS FOR THE INHIBITION OF DGAT1 ACTIVITY | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |
| WO-2007138304-A1 | 1, 3, 4 -OXADIAZOLE DERIVATIVES AS DGAT1 INHIBITORS | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007138311-A1 | SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZ0L-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007071966-A1 | PYRIMIDO- [4, 5-B] -OXAZINES FOR USE AS DGAT INHIBITORS | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |
| WO-2006134317-A1 | OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS | ASTRAZENECA AB (SE) | 2006-12-21 | — | — | WO | disclosed |
| EP-1363893-A1 | PROCESS FOR PURIFICATION OF WARFARIN ACID, WARFARIN ALKALI METAL SALTS AND CORRESPONDING CLATHRATES | TARO PHARMACEUTICALS U.S.A., INC. (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002070503-A1 | PROCESS FOR PURIFICATION OF WARFARIN ACID, WARFARIN ALKALI METAL SALTS AND CORRESPONDING CLATHRATES | TARO PHARMACEUTICALS U.S.A., INC. (US) | 2002-09-12 | — | — | WO | disclosed |
| US-5677472-A | PURIFICATION, ISOLATION PHOSPHATIDES BY SOLVENT EXTRACTION THE FAT | SVENSKA MEJERIERNAS RIKSFOERENING EKONOMI AB (SE) | 1997-10-14 | — | — | US | disclosed |