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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.47 |
| ▸ | CALCRL known ✓ | Q16602 | 9/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.43 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.43 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAMP1 | O60894 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31184539 | 0.98 | BRD4 (0.50) | BRD4CREBBPPARP1CALCRLMAPK1 | |
| SCHEMBL2100919 | 0.98 | BRD4 (0.50) | BRD4CREBBPPARP1CALCRLMAPK1 | |
| SCHEMBL31184549 | 0.98 | BRD4 (0.50) | BRD4CREBBPPARP1CALCRLMAPK1 | |
| Acetic Acid SCHEMBL2211895 | 0.90 | CALCRL (0.49) | BRD4CREBBPPARP1CALCRLRAMP1 | |
| SCHEMBL3964481 | 0.90 | OPRM1 (0.49) | CALCRLRAMP1CHRM4 | |
| SCHEMBL14498119 | 0.90 | PARP1 (0.50) | BRD4CREBBPPARP1CALCRLMAPK1 | |
| SCHEMBL2872824 | 0.89 | BRD4 (0.56) | BRD4CREBBPCALCRLRAMP1CHRM4 | |
| Trifluoroacetic Acid SCHEMBL4782071 | 0.87 | CALCRL (0.48) | PARP1CALCRLRAMP1CHRM4CTSS | |
| SCHEMBL13078005 | 0.86 | BRD4 (0.53) | BRD4CREBBPCALCRLRAMP1CHRM4 | |
| Hydrochloric Acid SCHEMBL1819629 | 0.85 | HTR2C (0.48) | BRD4CREBBPPARP1CALCRLRAMP1 |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912653-B1 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-01-01 | — | — | EP | disclosed |
| EP-1641781-B1 | Benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME (US) | 2013-03-06 | — | — | EP | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| US-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| EP-1615914-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | EP | disclosed |
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | disclosed |
| US-20090163480-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | DR. KARL THOMAE GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-7498325-B2 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | KARL THOMAS GMBH (DE) | 2009-03-03 | — | — | US | disclosed |
| WO-2004091514-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040214819-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | DR. KARL THOMAE GMBH (DE) | 2004-10-28 | — | — | US | disclosed |
| EP-1440976-A1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-07-28 | — | — | EP | disclosed |
| EP-0927192-B1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-05-12 | — | — | EP | disclosed |
| US-20030069231-A1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | RUDOLF KLAUS (DE) | 2003-04-10 | — | — | US | disclosed |
| US-6344449-B1 | HEADACHE AND MORPHINE DEPENDENCE | DR. KARL THOMAE GMBH (DE) | 2002-02-05 | — | — | US | disclosed |
| US-20010036946-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | RUDOLF KLAUS (DE) | 2001-11-01 | — | — | US | disclosed |
| EP-0029707-B1 | NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KYOWA HAKKO KOGYO CO., LTD (JP) | 1984-02-01 | — | — | EP | disclosed |
| US-4344948-A | HYPOTENSIVE AGENTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1982-08-17 | — | — | US | disclosed |
| EP-0029707-A1 | Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them | KYOWA HAKKO KOGYO CO., LTD (JP) | 1981-06-03 | — | — | EP | 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-20090163480-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | PTMS, CHRM1, SRMS | PARP1 4196/4885CALCRL 255/4885HTR2C 830/4885 |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | BDKRB2, BDKRB1, CCKBR | PARP1 2327/4885CALCRL 15/4885HTR2C 229/4885 |
| US-20040214819-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | PTMS, SRMS, OPRM1 | PARP1 4300/4885CALCRL 276/4885HTR2C 513/4885 |
| US-20030069231-A1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | SLC1A5, NEFM, SRMS | PARP1 4487/4885CALCRL 364/4885HTR2C 452/4885 |
| US-20010036946-A1 | Modified amino acids, pharmaceuticals containing these compounds and method for their production | PTMS, SRMS, OPRM1 | PARP1 4300/4885CALCRL 276/4885HTR2C 513/4885 |
“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.