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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.39 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3697248 | 0.98 | OPRK1 (0.40) | OPRK1DPP4PTGDR2KMT2AHTT | |
| SCHEMBL21591654 | 0.84 | OPRK1 (0.38) | OPRK1DPP4PTGDR2KMT2AHTT | |
| SCHEMBL21591679 | 0.80 | OPRK1 (0.35) | OPRK1PTGDR2KMT2AMEN1ALDH1A1 | |
| SCHEMBL24502939 | 0.78 | KMT2A (0.41) | OPRK1PTGDR2KMT2AHTTMEN1 | |
| SCHEMBL15507945 | 0.75 | OPRK1 (0.39) | OPRK1PTGDR2KMT2AHTTMEN1 | |
| SCHEMBL15004184 | 0.75 | KDM4E (0.46) | OPRK1PTGDR2KMT2AHTTMEN1 | |
| SCHEMBL31145165 | 0.75 | KDM4E (0.46) | OPRK1PTGDR2KMT2AHTTMEN1 | |
| SCHEMBL1543624 | 0.75 | PDXK (0.46) | OPRK1PTGDR2KMT2AHTTMEN1 | |
| SCHEMBL4541092 | 0.75 | OPRK1 (0.39) | OPRK1PTGDR2KMT2AHTTMEN1 | |
| SCHEMBL31746033 | 0.75 | HTT (0.54) | OPRK1PTGDR2KMT2AHTTMEN1 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210008055-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2021-01-14 | — | — | US | disclosed |
| US-20190275024-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2019-09-12 | — | — | US | disclosed |
| US-10272077-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2019-04-30 | — | — | US | disclosed |
| US-20180092900-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-05 | — | — | US | disclosed |
| EP-2846798-B1 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-04-04 | — | — | EP | disclosed |
| US-9833448-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-12-05 | — | — | US | disclosed |
| EP-2846801-B1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20170027925-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-02 | — | — | US | disclosed |
| US-9499545-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-22 | — | — | US | disclosed |
| EP-2821407-B1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-09-21 | — | — | EP | disclosed |
| EP-2638042-B1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-09-24 | — | — | EP | disclosed |
| US-8754096-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-17 | — | — | 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-2638042-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-09-18 | — | — | EP | disclosed |
| US-8481556-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | Merck, Sharp & Dohms, Corp. (US) | 2013-07-09 | — | — | US | disclosed |
| WO-2012064910-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |
| US-20120122900-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120122911-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120122899-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | 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 (8 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-20120122900-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
| US-20210008055-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
| US-20120122911-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
| US-20180092900-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
| US-20170027925-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, GPR65 | OPRK1 106/4885DPP4 2587/4885GAA 2581/4885 |
| US-20190275024-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
| US-20120122899-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
| US-10272077-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | CALCRL, CALCR, CNR2 | OPRK1 141/4885DPP4 1351/4885GAA 2447/4885 |
“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.