Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 3/20 | 0.48 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.40 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7732476 | 0.99 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1MAPTHSD17B10RAB9A | |
| SCHEMBL5950091 | 0.84 | GAA (0.46) | SMN1; SMN2ALDH1A1MAPTHSD17B10RAB9A | |
| SCHEMBL3504414 | 0.82 | TSHR (0.56) | SMN1; SMN2ALDH1A1MAPTHSD17B10RAB9A | |
| Hydrochloric Acid SCHEMBL7201470 | 0.79 | MCL1 (0.53) | ALDH1A1MAPTHSD17B10GAAHPGD | |
| SCHEMBL3976847 | 0.78 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1MAPTHSD17B10RAB9A | |
| SCHEMBL693 | 0.76 | TSHR (0.47) | ALDH1A1MAPTHSD17B10RAB9AKDM4E | |
| SCHEMBL4123607 | 0.76 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1MAPTHSD17B10RAB9A | |
| SCHEMBL2899318 | 0.76 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1MAPTHSD17B10RAB9A | |
| Hydrochloric Acid SCHEMBL27580094 | 0.74 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL3731320 | 0.74 | SMN1; SMN2 (0.60) | SMN1; SMN2ALDH1A1MAPTHPGDKDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1366016-B1 | PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR | GLAXO GROUP LTD (GB) | 2010-08-25 | — | — | EP | disclosed |
| US-7709677-B2 | e.g.3-{3-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]phenyl}isonicotinic acid ; useful as agonists at atypical beta-adrenoceptors; treatment of hyperglycaemia, animal growth promoters, blood platelet aggregation inhibitors, as positive inotropic agents and antiatherosclerotic agent | GLAXOSMITHKLINE LLC (US) | 2010-05-04 | — | — | US | disclosed |
| US-20080306278-A1 | PROCESS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-11 | — | — | US | disclosed |
| US-7425639-B2 | For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates | SMITHKLINE BEECHAM CORPORATION (US) | 2008-09-16 | — | — | US | disclosed |
| US-20060148887-A1 | Chemical compounds | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2006-07-06 | — | — | US | disclosed |
| US-7034053-B2 | Phenethanolamine derivatives, compositions, and their use as agonists at atypical beta-adrenoreceptors | SMITHKLINE BEECHAM CORPORATION (US) | 2006-04-25 | — | — | US | disclosed |
| EP-1366033-B1 | CHEMICAL COMPOUNDS | GLAXO GROUP LTD (GB) | 2005-04-27 | — | — | EP | disclosed |
| US-20040106672-A1 | beta-adrenoceptor agonist for the prevention or treatment of obesity; Suitable compounds of formula (I) of the invention include:2-(3-{2R-[2-(3-Chlorophenyl)-2R-hydroxyl-ethylamino]propylamino}phenyl)furan-3-carboxylic acid | B3AR THERAPEUTICS, INC. | 2004-06-03 | — | — | US | disclosed |
| US-20040077868-A1 | For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates | B3AR THERAPEUTICS, INC. | 2004-04-22 | — | — | US | disclosed |
| CN-1487928-A | Compound (I) | — | 2004-04-07 | — | — | CN | disclosed |
| EP-1366016-A2 | PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR | GLAXO GROUP LIMITED (GB) | 2003-12-03 | — | — | EP | disclosed |
| EP-1366033-A1 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002066418-A2 | PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR | GLAXO GROUP LIMITED (GB) | 2002-08-29 | — | — | WO | disclosed |
| WO-2002060885-A1 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2002-08-08 | — | — | 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 (4 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-20040077868-A1 | For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates | ADRB3, ADRB2, ADRB1 | GAA 3024/4885MAOA 171/4885MAOB 182/4885 |
| US-20080306278-A1 | PROCESS | ADRB3, ADRA1D, ADRB1 | GAA 1528/4885MAOA 125/4885MAOB 118/4885 |
| US-20040106672-A1 | beta-adrenoceptor agonist for the prevention or treatment of obesity; Suitable compounds of formula (I) of the invention include:2-(3-{2R-[2-(3-Chlorophenyl)-2R-hydroxyl-ethylamino]propylamino}phenyl)furan-3-carboxylic acid | ADRB3, ADRB1, ADRB2 | GAA 1104/4885MAOA 251/4885MAOB 321/4885 |
| US-20060148887-A1 | Chemical compounds | ADRB3, GPR119, ADRB1 | GAA 740/4885MAOA 966/4885MAOB 628/4885 |
“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.