Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexoprenaline. 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 12/20 | 0.70 |
| ▸ | ADRB1 known ✓ | P08588 | 7/20 | 0.60 |
| ▸ | DRD2 known ✓ | P14416 | 5/20 | 0.60 |
| ▸ | DRD3 known ✓ | P35462 | 4/20 | 0.60 |
| ▸ | ADRB3 known ✓ | P13945 | 4/20 | 0.60 |
| ▸ | DRD1 known ✓ | P21728 | 4/20 | 0.60 |
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.60 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.60 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.60 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.60 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.60 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.60 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.60 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.59 |
| ▸ | DRD4 known ✓ | P21917 | 3/20 | 0.57 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | BLM | P54132 | 4/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Hexoprenaline SCHEMBL3500862 | 1.00 | ADRB2 (0.70) | ADRB2KDM4EBLMPMP22NPSR1 | |
| Hexoprenaline SCHEMBL32668781 | 0.98 | ADRB2 (0.72) | ADRB2KDM4EBLMPMP22NPSR1 | |
| Hexoprenaline SCHEMBL121449 | 0.98 | ADRB2 (0.72) | ADRB2KDM4EBLMPMP22NPSR1 | |
| Hexoprenaline SCHEMBL598186 | 0.92 | ADRB2 (0.65) | ADRB2KDM4EBLMPMP22NPSR1 | |
| SCHEMBL8442887 | 0.91 | ADRB2 (0.63) | ADRB2KDM4EBLMPMP22NPSR1 | |
| SCHEMBL9768158 | 0.91 | ADRB2 (0.63) | ADRB2KDM4EBLMPMP22NPSR1 | |
| SCHEMBL9768151 | 0.91 | ADRB2 (0.63) | ADRB2KDM4EBLMPMP22NPSR1 | |
| SCHEMBL31530707 | 0.90 | ADRB2 (0.68) | ADRB2KDM4EBLMPMP22NPSR1 | |
| SCHEMBL31530706 | 0.90 | ADRB2 (0.68) | ADRB2KDM4EBLMPMP22NPSR1 | |
| SCHEMBL13790391 | 0.89 | ADRB2 (0.62) | ADRB2KDM4EBLMPMP22NPSR1 |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060258735-A1 | 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | MENG CHARLES Q | 2006-11-16 | — | — | US | claimed |
| EP-1330459-B1 | TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | UNIV EMORY (US) | 2006-08-02 | — | — | EP | claimed |
| US-7078431-B2 | 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | ATHEROGENICS, INC. (US) | 2006-07-18 | — | — | US | claimed |
| WO-2005123046-A1 | NOVEL TRANSDERMAL PREPARATION AND ITS PRODUCING METHOD | AMOREPACIFIC CORPORATION (KR) | 2005-12-29 | — | — | WO | claimed |
| CN-1561978-A | Hexoprenaline hydrochloride dripping pill and its preparing method | HONGYI TECH CO LTD NANCHANG (CN) | 2005-01-12 | — | — | CN | claimed |
| US-6777441-B2 | FOR THERAPY AND PROPHYLAXIS | EMORY UNIVERSITY | 2004-08-17 | — | — | US | claimed |
| US-20030236298-A1 | 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | ATHEROGENICS PHARMACEUTICALS, INC. | 2003-12-25 | — | — | US | claimed |
| US-6608101-B1 | Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; | ATHEROGENICS, INC. | 2003-08-19 | — | — | US | claimed |
| EP-1330448-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | Atherogenics, Inc. (US) | 2003-07-30 | — | — | EP | claimed |
| WO-2001098291-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | ATHEROGENICS, INC. (US) | 2001-12-27 | — | — | WO | claimed |
| US-8193249-B2 | Triptolide analogs for the treatment of autoimmune and inflammatory disorders | EMORY UNIVERSITY (US) | 2012-06-05 | — | — | US | disclosed |
| US-20110081338-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | CHELSEA THERAPEUTICS, INC. | 2011-04-07 | — | — | US | disclosed |
| US-20110082149-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | CHELSEA THERAPEUTICS, INC. | 2011-04-07 | — | — | US | disclosed |
| US-20100324133-A1 | Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders | LIOTTA DENNIS C | 2010-12-23 | — | — | US | disclosed |
| US-7829708-B2 | Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation | CHELSEA THERAPEUTICS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| WO-2003053368-A2 | CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES | ATHEROGENICS, INC. (US) | 2003-07-03 | — | — | WO | disclosed |
| WO-2003053359-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPYN-1-ONES AND THEIR USE TO TREAT DISORDERS | ATHEROGENICS, INC. (US) | 2003-07-03 | — | — | WO | disclosed |
| US-20030027806-A1 | Triptolide analogs for the treatment of autoimmune and inflammatory disorders | EMORY UNIVERSITY | 2003-02-06 | — | — | US | disclosed |
| WO-2002028862-A2 | TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | EMORY UNIVERSITY (US) | 2002-04-11 | — | — | WO | disclosed |
| WO-2001098291-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | ATHEROGENICS, INC. (US) | 2001-12-27 | — | — | 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 (6 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-20100324133-A1 | Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders | HPGDS, LTB4R2, TNF | ADRB2 2629/4885ADRB1 3172/4885DRD2 1289/4885 |
| US-20110081338-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | DHFR, MTHFD1, MTHFD2 | ADRB2 3969/4885ADRB1 3061/4885DRD2 4586/4885 |
| US-20110082149-A1 | METABOLICALLY INERT ANTIFOLATES FOR TREATING DISORDERS OF ABNORMAL CELLULAR PROLIFERATION AND INFLAMMATION | DHFR, MTHFD1, MTHFD2 | ADRB2 3969/4885ADRB1 3061/4885DRD2 4586/4885 |
| US-20030027806-A1 | Triptolide analogs for the treatment of autoimmune and inflammatory disorders | SSB, ENPP2, NOD1 | ADRB2 4072/4885ADRB1 3471/4885DRD2 3074/4885 |
| US-20030236298-A1 | 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | VCAM1, ICAM1, ITGB1 | ADRB2 86/4885ADRB1 24/4885DRD2 1395/4885 |
| US-20060258735-A1 | 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders | VCAM1, ICAM1, ITGB1 | ADRB2 86/4885ADRB1 24/4885DRD2 1395/4885 |
“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.