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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.31 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.31 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2916007 | 0.97 | — | — | |
| SCHEMBL30857797 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9425326 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9425321 | 0.86 | — | — | |
| Formic Acid SCHEMBL30960933 | 0.85 | — | — | |
| SCHEMBL301923 | 0.83 | — | — | |
| SCHEMBL301922 | 0.83 | — | — | |
| SCHEMBL15336501 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL30798034 | 0.79 | PKM (0.39) | HTR2CHTR2A | |
| Trifluoroacetic Acid SCHEMBL31395763 | 0.74 | PKM (0.36) | — |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858641-B2 | melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2010-12-28 | — | — | US | claimed |
| US-7456183-B2 | Guanidino compounds | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-11-25 | — | — | US | claimed |
| US-7189727-B2 | Guanidino compounds | CHIRON CORPORATION (US) | 2007-03-13 | — | — | US | claimed |
| US-6960582-B2 | Guanidino compounds | CHIRON CORPORATION (US) | 2005-11-01 | — | — | US | claimed |
| US-20050124652-A1 | Guanidino compounds | BOYCE RUSTUM (US) | 2005-06-09 | — | — | US | claimed |
| US-20050038027-A1 | Novel guanidino compounds | CHIRON CORPORATION | 2005-02-17 | — | — | US | claimed |
| US-20040248895-A1 | Novel guanidino compounds | CHU DANIEL (US) | 2004-12-09 | — | — | US | claimed |
| EP-1478626-A2 | GUANIDINO COMPOUNDS | CHIRON CORPORATION (US) | 2004-11-24 | — | — | EP | claimed |
| US-6716840-B2 | AGONISTS OF THE MELANOCORTIN-4 RECEPTOR (?MC-4R?); USEFUL TREATING OBESITY AND TYPE 2 DIABETES | CHIRON CORPORATION | 2004-04-06 | — | — | US | claimed |
| US-20040024211-A1 | Novel guanidino compounds | CHIRON CORPORATION | 2004-02-05 | — | — | US | claimed |
| US-20030195187-A1 | Guanidino compounds | CHIRON CORPORATION | 2003-10-16 | — | — | US | claimed |
| WO-2003066597-A2 | GUANIDINO COMPOUNDS | CHIRON CORPORATION (US) | 2003-08-14 | — | — | WO | claimed |
| EP-0445731-B1 | Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof | WARNER LAMBERT CO (US) | 1996-01-10 | — | — | EP | claimed |
| EP-0445731-A1 | Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof | WARNER-LAMBERT COMPANY (US) | 1991-09-11 | — | — | EP | claimed |
| US-7858641-B2 | melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2010-12-28 | — | — | US | disclosed |
| US-7858631-B2 | Substituted pyrido [2,3-d] pyrimidinone compounds | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2010-12-28 | — | — | US | disclosed |
| EP-1551834-B1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2010-08-25 | — | — | EP | disclosed |
| EP-0541086-A1 | Antibacterial 6-fluoro-quinolones having an oxime group on the substituent in position 7 | Kaken Pharmaceutical Co., Ltd. (JP) | 1993-05-12 | — | — | EP | disclosed |
| EP-0445731-A1 | Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof | WARNER-LAMBERT COMPANY (US) | 1991-09-11 | — | — | EP | disclosed |
| US-4871739-A | Substituted 6H-7,8-dihydrothiapyrano(3,2-D)-pyrimidines as hyopglycemic agents | MERCK & CO., INC. (US) | 1989-10-03 | — | — | 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 (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-20050038027-A1 | Novel guanidino compounds | MC4R, MC3R, GCKR | HTR2C 476/4885HTR2A 1112/4885HTR2B 1166/4885 |
| US-20030195187-A1 | Guanidino compounds | MC4R, MC2R, GPR4 | HTR2C 217/4885HTR2A 189/4885HTR2B 207/4885 |
| US-20040024211-A1 | Novel guanidino compounds | MC4R, MC5R, MC3R | HTR2C 211/4885HTR2A 419/4885HTR2B 280/4885 |
| US-20050124652-A1 | Guanidino compounds | MC4R, MC2R, GPR4 | HTR2C 217/4885HTR2A 189/4885HTR2B 207/4885 |
| US-20040248895-A1 | Novel guanidino compounds | MC4R, MC5R, MC3R | HTR2C 181/4885HTR2A 314/4885HTR2B 243/4885 |
“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.