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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.58 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 SCHEMBL1615209 | 1.00 | TSHR (0.60) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL1192319 | 1.00 | TSHR (0.60) | TSHRALDH1A1THRBTDP1LMNA | |
| Heptane SCHEMBL8576300 | 0.96 | TSHR (0.67) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL10768698 | 0.96 | TSHR (0.56) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL5543427 | 0.95 | TSHR (0.64) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL2818973 | 0.95 | TSHR (0.64) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL19547603 | 0.95 | TSHR (0.64) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL7176518 | 0.95 | TSHR (0.64) | TSHRALDH1A1THRBTDP1LMNA | |
| Hexane SCHEMBL6576 | 0.95 | — | — | |
| Hexane SCHEMBL6552198 | 0.95 | TSHR (0.64) | TSHRALDH1A1THRBTDP1LMNA |
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 202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734720-A | 18F marks DPA-714 analog derivative and its preparation method and application | 中国人民解放军东部战区总医院 | 2019-05-10 | — | — | CN | claimed |
| CN-109734720-A | 18F marks DPA-714 analog derivative and its preparation method and application | 中国人民解放军东部战区总医院 | 2019-05-10 | — | — | CN | disclosed |
| US-9206174-B2 | 5-anilinoimidazopyridines and methods of use | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| CN-104837858-A | Ketoamide immunoproteasome inhibitors | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |
| US-20150210643-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR | LABORATORIOS ALMIRALL, S.A. | 2015-07-30 | — | — | US | disclosed |
| EP-1999114-B1 | PYRAZOLES AS 11-BETA-HSD-1 | HOFFMANN LA ROCHE (CH) | 2015-07-22 | — | — | EP | disclosed |
| US-20130150584-A1 | 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE | GENENTECH, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| CN-101466763-B | Method for producing poly-L-lactic acid | NAT UNIV CORP KYOTO INST TECH | 2013-03-13 | — | — | CN | disclosed |
| CN-102656149-A | Benzamide compounds | ASTELLAS PHARMA INC | 2012-09-05 | — | — | CN | disclosed |
| US-20120214184-A1 | DOXORUBICIN IMMUNOASSAY | SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) | 2012-08-23 | — | — | US | disclosed |
| US-4280957-A | Imidazodiazepines and processes therefor | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4255328-A | CEPHALOSPORINS | CIBA-GEIGY CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |
| EP-0023358-A1 | Process for the preparation of pyridazine derivatives | ROHM AND HAAS COMPANY (US) | 1981-02-04 | — | — | EP | disclosed |
| US-4242522-A | O-(N-Allyl-2,6-dichloroanilino)phenylacetic acid derivative and a process for preparing the same | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1980-12-30 | — | — | US | disclosed |
| US-4147864-A | Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds | CIBA-GEIGY CORPORATION (US) | 1979-04-03 | — | — | US | disclosed |
| US-4118386-A | Synthesis of imidazo[1,5-a]diazepine-3-carboxylates | HOFFMANN-LA ROCHE INC. (US) | 1978-10-03 | — | — | US | disclosed |
| US-4097579-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, MUSCLE RELAXANTS | SYNTEX (U.S.A.) INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4052421-A | 13-ETHINYL-STEROIDS AND PROCESSES FOR THEIR MANUFACTURE | CIBA-GEIGY CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |
| US-3968109-A | ANTIBIOTIC | E. R. SQUIBB & SONS, INC. (US) | 1976-07-06 | — | — | US | disclosed |
| US-3962275-A | ANTIGONADOTROPIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1976-06-08 | — | — | 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 (3 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-20120214184-A1 | DOXORUBICIN IMMUNOASSAY | IGSF11, DNASE1L3, DCLRE1A | THRB 3602/4885MEN1 4348/4885TSHR 2348/4885 |
| US-20150210643-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR | ADRB2, ADRB1, ADRA2C | THRB 162/4885MEN1 4282/4885TSHR 388/4885 |
| US-20130150584-A1 | 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE | MKI67, PCNA, TYMP | THRB 3487/4885MEN1 723/4885TSHR 2504/4885 |
“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.