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 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | FAAH | O00519 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
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 SCHEMBL28253632 | 1.00 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL94510 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL15769141 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL514605 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL6720430 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL1016091 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL637278 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL547747 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL318366 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Hexane SCHEMBL2701260 | 0.97 | ALDH1A1 (0.78) | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563073-B | For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds | 诺罗利西斯公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-109563073-A | For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds | 诺罗利西斯公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-105296137-A | Method for extracting microalgae lipid through biological enzyme catalysis wall breaking | INST OF HYDROBIOLOGY CAS | 2016-02-03 | — | — | CN | disclosed |
| CN-102076650-A | Carboxylic acid compound | DAIICHI SANKYO CO LTD | 2011-05-25 | — | — | CN | disclosed |
| US-7109186-B2 | 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-19 | — | — | US | disclosed |
| US-20040110804-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-10 | — | — | US | disclosed |
| WO-2004004657-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-15 | — | — | WO | disclosed |
| US-6294573-B1 | FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION | ABBOTT LABORATORIES | 2001-09-25 | — | — | US | disclosed |
| US-5756508-A | Muscarine antagonists | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5668282-A | 4,5-cyclicimidazo[1,5-A]quinoxalines | PHARMACIA & UPJOHN COMPANY (US) | 1997-09-16 | — | — | US | disclosed |
| WO-1997016192-A1 | MUSCARINE ANTAGONISTS | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |
| US-5574038-A | 5,6-cyclicimidazo [1,5-a] Quinoxalines | THE UPJOHN COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5541324-A | Imidazo[1,5-A]quinoxalines | THE UPJOHN COMPANY (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0590022-A1 | IMIDAZO 1,5-a]QUINOXALINES | PHARMACIA & UPJOHN COMPANY (US) | 1994-04-06 | — | — | EP | disclosed |
| WO-1992022552-A1 | IMIDAZO[1,5-a]QUINOXALINES | THE UPJOHN COMPANY (US) | 1992-12-23 | — | — | WO | disclosed |
| US-5023255-A | Triazine derivatives; inhibitors exzyme 5-lipoxygenase | GLAXO GROUP LIMITED (GB) | 1991-06-11 | — | — | US | disclosed |
| EP-0388165-A2 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 1990-09-19 | — | — | EP | disclosed |
| US-4407754-A | Cholecalciferol derivatives | HOFFMANN-LA ROCHE INC. (US) | 1983-10-04 | — | — | US | 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-20040110804-A1 | HIV integrase inhibitors | CDKN1A, SAMHD1, CTCF | MEN1 4784/4885ALDH1A1 563/4885LMNA 3521/4885 |
“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.