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 | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.33 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AGER | Q15109 | 1/20 | 0.33 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1856452 | 0.99 | TSHR (0.44) | TSHRALDH1A1NPC1LMNAKDM4E | |
| SCHEMBL1855269 | 0.81 | TSHR (0.40) | TSHRALDH1A1NPC1LMNAKDM4E | |
| Hydrochloric Acid SCHEMBL1858945 | 0.75 | GRM2 (0.39) | TSHRALDH1A1NPC1GRM2 | |
| SCHEMBL1857716 | 0.74 | GRM2 (0.39) | TSHRALDH1A1NPC1GRM2 | |
| Hydrochloric Acid SCHEMBL4918750 | 0.72 | CYP1A2 (0.51) | TSHRALDH1A1NPC1LMNAGRM2 | |
| SCHEMBL13355261 | 0.70 | ALDH1A1 (0.47) | TSHRALDH1A1NPC1LMNAKDM4E | |
| SCHEMBL1865108 | 0.70 | CYP1A2 (0.53) | TSHRALDH1A1NPC1LMNAGRM2 | |
| SCHEMBL12628760 | 0.67 | GRM2 (0.70) | TSHRALDH1A1NPC1KDM4EHSD17B10 | |
| SCHEMBL1856433 | 0.65 | LMNA (0.61) | TSHRALDH1A1LMNAMAPK1HTT | |
| SCHEMBL1854089 | 0.65 | ALDH1A1 (0.68) | TSHRALDH1A1LMNAMAPK1SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7939658-B2 | Enantiomeric pure beta agonists, manufacturing and use as a medicaments thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-10 | — | — | US | disclosed |
| US-20100297028-A1 | MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-25 | — | — | US | disclosed |
| US-20090306068-A1 | NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-10 | — | — | US | disclosed |
| US-7534789-B2 | Enantiomeric pure β agonists, manufacturing and use as a medicament thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-19 | — | — | US | disclosed |
| US-7429583-B2 | Betamimetics for the treatment of respiratory complaints | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-09-30 | — | — | US | disclosed |
| US-20070249595-A1 | Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-25 | — | — | US | disclosed |
| US-20070203125-A1 | Medicament Combinations for the Treatment of Respiratory Diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-08-30 | — | — | US | disclosed |
| US-20060063817-A1 | New betamimetics for the treatment of respiratory complaints | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-03-23 | — | — | 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-20060063817-A1 | New betamimetics for the treatment of respiratory complaints | CHRM1, ADRB1, ADRA1B | HDAC1 4529/4885GLA 2082/4885TSHR 917/4885 |
| US-20090306068-A1 | NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF | ADRB1, ADRB2, ADRA1B | HDAC1 4760/4885GLA 2107/4885TSHR 790/4885 |
| US-20070249595-A1 | Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof | ADRB1, ADRA1B, ADRA2B | HDAC1 4743/4885GLA 2502/4885TSHR 573/4885 |
| US-20070203125-A1 | Medicament Combinations for the Treatment of Respiratory Diseases | CHRM1, CHRM2, MTNR1B | HDAC1 3296/4885GLA 1562/4885TSHR 1644/4885 |
| US-20100297028-A1 | MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES | CHRM1, CHRM2, MTNR1B | HDAC1 3296/4885GLA 1562/4885TSHR 1644/4885 |
“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.