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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 5/20 | 0.39 |
| ▸ | NR3C1 known ✓ | P04150 | 2/20 | 0.37 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 SCHEMBL29813949 | 1.00 | CYP2C19 (0.44) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL12950800 | 0.98 | CYP2C19 (0.45) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL7031016 | 0.89 | CYP2C19 (0.50) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL18298063 | 0.81 | CYP2C19 (0.54) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL29368467 | 0.74 | CYP2C19 (0.38) | CYP2C19CRHBPCRHR2S1PR1TSHR | |
| SCHEMBL21964089 | 0.74 | CYP2C19 (0.38) | CYP2C19CRHBPCRHR2S1PR1TSHR | |
| Hydrochloric Acid SCHEMBL28368774 | 0.73 | CYP2C19 (0.39) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL3634273 | 0.71 | CYP2C19 (0.62) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL10781531 | 0.70 | CYP2C19 (0.51) | CYP2C19NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL2960872 | 0.70 | CYP2C19 (0.78) | CYP2C19NR1H2NR1H3CRHBPCRHR2 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3628045-B1 | COMPOUNDS | UNIV SHEFFIELD (GB) | 2024-07-03 | — | — | EP | disclosed |
| US-11400081-B2 | Compounds | THE UNIVERSITY OF SHEFFIELD (GB) | 2022-08-02 | — | — | US | disclosed |
| US-20210113534-A1 | COMPOUNDS | THE UNIVERSITY OF SHEFFIELD (GB) | 2021-04-22 | — | — | US | disclosed |
| EP-3628045-A1 | COMPOUNDS | The University Of Sheffield (GB) | 2020-04-01 | — | — | EP | disclosed |
| WO-2018211275-A1 | COMPOUNDS | THE UNIVERSITY OF SHEFFIELD (GB) | 2018-11-22 | — | — | WO | disclosed |
| EP-2846798-B1 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-04-04 | — | — | EP | disclosed |
| EP-2846801-B1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2017-04-05 | — | — | EP | disclosed |
| EP-2637656-B1 | N-Piperidinone-indane carboxamides as CGRP receptor antagonists | MERCK SHARP & DOHME (US) | 2016-12-14 | — | — | EP | disclosed |
| US-9499541-B2 | Piperidinone carboxamide indane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-22 | — | — | US | disclosed |
| US-9227973-B2 | Pyridine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-01-05 | — | — | US | disclosed |
| US-20150099771-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | US | disclosed |
| EP-2846801-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2015-03-18 | — | — | EP | disclosed |
| EP-2846798-A2 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2015-03-18 | — | — | EP | disclosed |
| US-20150031716-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2015-01-29 | — | — | US | disclosed |
| US-8883807-B2 | Piperidinone carboxamide indane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-11-11 | — | — | US | disclosed |
| WO-2013169574-A2 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| WO-2013169563-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| EP-2637656-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-09-18 | — | — | EP | disclosed |
| US-20130231358-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2013-09-05 | — | — | US | disclosed |
| WO-2012064911-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | 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 (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-20130231358-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | S1PR1 644/4885NR3C1 2542/4885GLA 1944/4885 |
| US-20150031716-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | S1PR1 558/4885NR3C1 1834/4885GLA 1657/4885 |
| US-20150099771-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | CALCRL, P2RX3, P2RY1 | S1PR1 737/4885NR3C1 1927/4885GLA 2059/4885 |
| US-20210113534-A1 | COMPOUNDS | MRGPRX2, MC2R, ADM2 | S1PR1 767/4885NR3C1 275/4885GLA 3691/4885 |
| US-11400081-B2 | Compounds | MRGPRX2, MC2R, ADM2 | S1PR1 767/4885NR3C1 275/4885GLA 3691/4885 |
“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.