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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 6/20 | 0.43 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.42 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2960337 | 1.00 | TDP1 (0.54) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL777299 | 0.98 | TDP1 (0.56) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL22445082 | 0.85 | TDP1 (0.56) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL8639741 | 0.85 | TDP1 (0.56) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL661780 | 0.83 | TDP1 (0.58) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| SCHEMBL2560729 | 0.83 | TDP1 (0.58) | TDP1TSHRALDH1A1CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL7868631 | 0.82 | SLC6A2 (0.48) | CYP3A4MAPTRAB9ANPC1MAOB | |
| SCHEMBL6174994 | 0.81 | CA12 (0.48) | TDP1ALDH1A1CYP3A4RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL1455878 | 0.81 | TAAR1 (0.45) | ALDH1A1MAOASMN1; SMN2 | |
| SCHEMBL6174449 | 0.79 | SLC6A2 (0.50) | CYP3A4MAPTRAB9ANPC1MAOB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-7994165-B2 | Aryl aniline derivatives as β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2011-08-09 | — | — | US | disclosed |
| EP-1706371-B1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2011-04-06 | — | — | EP | disclosed |
| US-7772250-B2 | Salts of 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one | THERAVANCE, INC. (US) | 2010-08-10 | — | — | US | disclosed |
| US-20100087410-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2010-04-08 | — | — | US | disclosed |
| US-7622467-B2 | 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one; extended duration of action; potency, selectivity; asthma, chronic obstructive pulmonary disease, antiinflammatory, pre-term labor, neurological and cardiac disorders | THERAVANCE, INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-20080125462-A1 | Cinnamate Salts Of A Beta-2 Adrenergic Agonist | GLAXO GROUP LIMITED (GB) | 2008-05-29 | — | — | US | disclosed |
| EP-1846374-A1 | CINNAMATE SALTS OF A BETA-2 ADRENERGIC AGONIST | GLAXO GROUP LIMITED (GB) | 2007-10-24 | — | — | EP | disclosed |
| EP-1706371-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2006-10-04 | — | — | EP | disclosed |
| US-20060189654-A1 | Novel compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-08-24 | — | — | US | disclosed |
| WO-2006074897-A1 | CINNAMATE SALTS OF A BETA-2 ADRENERGIC AGONIST | GLAXO GROUP LIMITED (GB) | 2006-07-20 | — | — | WO | disclosed |
| WO-2005070872-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| US-20050159448-A1 | Aryl aniline derivatives as beta2 adrenergic receptor agonists | THERAVANCE, INC. | 2005-07-21 | — | — | 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 (5 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-20080125462-A1 | Cinnamate Salts Of A Beta-2 Adrenergic Agonist | ADRB2, ADRB1, ADRA2A | MAOB 1904/4885GAA 1679/4885MAOA 1842/4885 |
| US-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | MAOB 197/4885GAA 1445/4885MAOA 230/4885 |
| US-20060189654-A1 | Novel compounds | CUL2, CUL3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | MAOB 3546/4885GAA 201/4885MAOA 3579/4885 |
| US-20050159448-A1 | Aryl aniline derivatives as beta2 adrenergic receptor agonists | ADRB2, ADRB1, ADRA2A | MAOB 197/4885GAA 1445/4885MAOA 230/4885 |
| US-20100087410-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | MAOB 197/4885GAA 1445/4885MAOA 230/4885 |
“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.