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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.64 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.64 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.64 |
| ▸ | CALCRL known ✓ | Q16602 | 6/20 | 0.45 |
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.44 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.44 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | PRKCG known ✓ | P05129 | 1/20 | 0.38 |
| ▸ | PRKCB known ✓ | P05771 | 1/20 | 0.38 |
| ▸ | PRKCA known ✓ | P17252 | 1/20 | 0.38 |
| ▸ | PRKCH known ✓ | P24723 | 1/20 | 0.38 |
| ▸ | PRKCE known ✓ | Q02156 | 1/20 | 0.38 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.38 |
| ▸ | PRKCD known ✓ | Q05655 | 1/20 | 0.38 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2102005 | 1.00 | DRD2 (0.64) | DRD2DRD4DRD3CALCRLTNKS | |
| Hydrochloric Acid SCHEMBL5551325 | 1.00 | DRD2 (0.64) | DRD2DRD4DRD3CALCRLTNKS | |
| SCHEMBL3962522 | 0.97 | DRD2 (0.61) | DRD2DRD4DRD3CALCRLTNKS | |
| SCHEMBL14417156 | 0.92 | DRD2 (0.62) | DRD2DRD4DRD3CALCRLTNKS | |
| Trifluoroacetic Acid SCHEMBL3962102 | 0.90 | DRD2 (0.54) | DRD2DRD4DRD3CALCRLTNKS | |
| SCHEMBL3247769 | 0.85 | DRD2 (0.48) | DRD2DRD4DRD3CALCRLCA12 | |
| SCHEMBL3253448 | 0.85 | DRD2 (0.48) | DRD2DRD4DRD3CALCRLTNKS | |
| SCHEMBL17803212 | 0.85 | DRD2 (0.48) | DRD2DRD4DRD3CALCRLTNKS | |
| SCHEMBL3962540 | 0.84 | DRD2 (0.47) | DRD2DRD4DRD3CALCRLTNKS | |
| SCHEMBL3959127 | 0.84 | FGR (0.48) | DRD2DRD4DRD3CALCRLTNKS |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765805-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-11-20 | — | — | EP | disclosed |
| EP-1861399-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-12-14 | — | — | EP | disclosed |
| US-7994325-B2 | ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide | MERCK SHARP & DOHME CORP. (US) | 2011-08-09 | — | — | US | disclosed |
| CN-101103020-B | Cgrp receptor antagonists | MERCK & CO INC | 2011-04-27 | — | — | CN | disclosed |
| EP-1856100-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | EP | disclosed |
| US-7632832-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-12-15 | — | — | US | disclosed |
| EP-1765805-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-26 | — | — | EP | disclosed |
| US-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | disclosed |
| US-7491713-B2 | CGRP receptor antagonists | MERCK + CO., INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2008-11-20 | — | — | US | disclosed |
| EP-1861399-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| WO-2007130860-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| EP-1809633-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2007-07-25 | — | — | EP | disclosed |
| EP-1765805-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| US-20060229447-A1 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2006-10-12 | — | — | US | disclosed |
| WO-2006099268-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-09-21 | — | — | WO | disclosed |
| WO-2006052378-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-18 | — | — | WO | disclosed |
| US-20060094707-A1 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2006-05-04 | — | — | US | disclosed |
| WO-2005072308-A9 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2006-02-02 | — | — | WO | disclosed |
| WO-2005072308-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | 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 (3 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-20060229447-A1 | Constrained compounds as CGRP-receptor antagonists | CALCR, BDKRB2, CALCRL | DRD2 1322/4885DRD4 4004/4885DRD3 1977/4885 |
| US-20060094707-A1 | Constrained compounds as CGRP-receptor antagonists | CALCR, BDKRB2, CALCRL | DRD2 1322/4885DRD4 4004/4885DRD3 1977/4885 |
| US-20080287422-A1 | Constrained Compounds as CGRP-Receptor Antagonists | CALCR, BDKRB2, CALCRL | DRD2 1322/4885DRD4 4004/4885DRD3 1977/4885 |
“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.