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 | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.39 |
| ▸ | SCN4A known ✓ | P35499 | 3/20 | 0.37 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.36 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 SCHEMBL3370440 | 1.00 | CNR1 (0.39) | CNR1CNR2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL27596043 | 0.99 | GRIN2D (0.40) | CNR1CNR2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3371841 | 0.99 | GRIN2D (0.40) | CNR1CNR2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3371837 | 0.99 | GRIN2D (0.40) | CNR1CNR2GRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL3374572 | 0.88 | PNMT (0.41) | GRIN1GRIN2BHTTSCN4AHDAC8 | |
| SCHEMBL13068047 | 0.86 | PNMT (0.42) | GRIN1GRIN2BHTTSCN4ASLC6A2 | |
| SCHEMBL13068044 | 0.84 | PPARG (0.39) | CNR1CNR2GRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL3374650 | 0.84 | CNR2 (0.40) | CNR2 | |
| SCHEMBL3374776 | 0.84 | CNR1 (0.42) | CNR1CNR2HTTNPSR1TAAR1 | |
| SCHEMBL3372133 | 0.84 | CNR1 (0.42) | CNR1CNR2HTTNPSR1TAAR1 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | MERCK & CO., INC. (US) | 2012-05-31 | — | — | US | disclosed |
| EP-1496838-B1 | SUBSTITUTED AMIDES | MERCK SHARP & DOHME (US) | 2010-11-03 | — | — | EP | disclosed |
| US-7816534-B2 | Substituted amides | MERCK SHARP & DOHME CORP. (US) | 2010-10-19 | — | — | US | disclosed |
| US-7667053-B2 | Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-20090258884-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| US-7550489-B2 | Substituted pyridyoxy amides | MERCK & CO., INC. (US) | 2009-06-23 | — | — | US | disclosed |
| US-7423067-B2 | N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse | MERCK & CO., INC. (US) | 2008-09-09 | — | — | US | disclosed |
| US-20080171692-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2008-07-17 | — | — | US | disclosed |
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| US-7390835-B2 | Aralkyl amines as cannabinoid receptor modulators | MERCK & CO., INC. (US) | 2008-06-24 | — | — | US | disclosed |
| WO-2005027837-A2 | SUBSTITUTED SULFONAMIDES | MERCK & CO., INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1494997-A1 | SUBSTITUTED ARYL AMIDES | Merck & Co., Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| EP-1490043-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| US-20040058820-A1 | Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis | MERCK SHARP & DOHME LLC | 2004-03-25 | — | — | US | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003087037-A1 | SUBSTITUTED ARYL AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003082190-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | 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 (4 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-20080171692-A1 | Substituted amides | CNR1, CNR2, FAAH | GRIN2D 1267/4885GRIN3B 626/4885GRIN1 251/4885 |
| US-20040058820-A1 | Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis | CNR1, CNR2, MAG | GRIN2D 1540/4885GRIN3B 479/4885GRIN1 181/4885 |
| US-20090258884-A1 | Substituted amides | CNR1, CNR2, FAAH | GRIN2D 1267/4885GRIN3B 626/4885GRIN1 251/4885 |
| US-20120135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | CNR1, CNR2, FAAH | GRIN2D 1549/4885GRIN3B 526/4885GRIN1 236/4885 |
“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.