Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Arbutamine. 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 | 16/20 | 0.60 |
| ▸ | ADRB1 known ✓ | P08588 | 8/20 | 0.60 |
| ▸ | ADRB3 known ✓ | P13945 | 4/20 | 0.55 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.54 |
| ▸ | DRD3 known ✓ | P35462 | 4/20 | 0.54 |
| ▸ | DRD4 known ✓ | P21917 | 3/20 | 0.54 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.54 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.54 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.54 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.54 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.54 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.54 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.54 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.54 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.54 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.54 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.54 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Arbutamine SCHEMBL40757 | 1.00 | ADRB2 (0.60) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL521645 | 0.99 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL20769823 | 0.99 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL3699485 | 0.99 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL29390265 | 0.99 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL29929016 | 0.99 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL4327619 | 0.96 | ADRB2 (0.59) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Arbutamine SCHEMBL7870502 | 0.93 | ADRB2 (0.58) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Hexoprenaline SCHEMBL3500862 | 0.86 | ADRB2 (0.70) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| Hexoprenaline SCHEMBL1604446 | 0.86 | ADRB2 (0.70) | ADRB2ADRB1ADRB3DRD2DRD3 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0525055-A4 | IMPROVED IONTOPHORETIC ADMINISTRATION OF DRUGS | — | 1993-10-06 | — | — | EP | claimed |
| EP-0525055-A1 | IMPROVED IONTOPHORETIC ADMINISTRATION OF DRUGS | GENSIA PHARMACEUTICALS, INC. (US) | 1993-02-03 | — | — | EP | claimed |
| EP-0524718-A1 | Polyurethane hydrogel compositions for iontophoretic drug delivery | GENSIA PHARMACEUTICALS, INC. (US) | 1993-01-27 | — | — | EP | claimed |
| WO-1991016103-A1 | IMPROVED IONTOPHORETIC ADMINISTRATION OF DRUGS | GENSIA PHARMACEUTICALS, INC. (US) | 1991-10-31 | — | — | WO | claimed |
| EP-0658538-B1 | Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist | GENSIA INC (US) | 1997-10-29 | — | — | EP | disclosed |
| EP-0329464-B1 | System for the closed-loop administration of an exercise simulating agent | GENSIA INC (US) | 1995-11-02 | — | — | EP | disclosed |
| US-5460605-A | Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist | GENSIA, INC. (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0658538-A1 | Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist | GENSIA, INC. (US) | 1995-06-21 | — | — | EP | disclosed |
| US-5395970-A | 1-(3,4-dihydroxyphenyl)-2-(4-(4-hydroxyphenyl)butaylamino)ethanol | GENSIA PHARMACEUTICALS, INC. (US) | 1995-03-07 | — | — | US | disclosed |
| US-5383848-A | Drug delivery for skins of methyl nicotinate, capsaicin in a vehicle | GENSIA, INC. (US) | 1995-01-24 | — | — | US | disclosed |
| US-5286252-A | Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist | GENSIA PHARMACEUTICALS, INC. (US) | 1994-02-15 | — | — | US | disclosed |
| EP-0525055-A4 | IMPROVED IONTOPHORETIC ADMINISTRATION OF DRUGS | — | 1993-10-06 | — | — | EP | disclosed |
| EP-0512065-A4 | APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER | — | 1992-12-30 | — | — | EP | disclosed |
| WO-1992020324-A1 | POLYURETHANE HYDROGEL COMPOSITIONS FOR IONTOPHORETIC DRUG DELIVERY | GENSIA PHARMACEUTICALS, INC. (US) | 1992-11-26 | — | — | WO | disclosed |
| EP-0512065-A1 | APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER | GENSIA PHARMACEUTICALS, INC. (US) | 1992-11-11 | — | — | EP | disclosed |
| US-5108363-A | DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST | GENSIA PHARMACEUTICALS, INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5088978-A | APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER | GENSIA PHARMACEUTICALS, INC. (US) | 1992-02-18 | — | — | US | disclosed |
| WO-1991016103-A1 | IMPROVED IONTOPHORETIC ADMINISTRATION OF DRUGS | GENSIA PHARMACEUTICALS, INC. (US) | 1991-10-31 | — | — | WO | disclosed |
| WO-1991011215-A1 | APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER | GENSIA PHARMACEUTICALS, INC. (US) | 1991-08-08 | — | — | WO | disclosed |
| EP-0329464-A2 | System for the closed-loop administration of an exercise simulating agent | GENSIA, INC. (US) | 1989-08-23 | — | — | EP | disclosed |