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 | |
|---|---|---|---|---|
| ▸ | HTR3E known ✓ | A5X5Y0 | 3/20 | 0.64 |
| ▸ | HTR3B known ✓ | O95264 | 3/20 | 0.64 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.64 |
| ▸ | HTR3D known ✓ | Q70Z44 | 3/20 | 0.64 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 3/20 | 0.64 |
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.51 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.51 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.51 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.51 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.50 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.50 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.47 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.46 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.45 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
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 SCHEMBL20339484 | 1.00 | HTR3E (0.64) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL75430 | 0.98 | HTR3E (0.66) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL12685315 | 0.92 | HTR3E (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL4511663 | 0.84 | HRH4 (0.54) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL4553876 | 0.81 | HTR3E (0.72) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL31415224 | 0.81 | HTR3E (0.72) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1515249 | 0.81 | HTR3E (0.72) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL1532625 | 0.81 | HTR3E (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6242154 | 0.79 | HTR3E (0.68) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6467644 | 0.79 | HTR3E (0.70) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8859556-B2 | TRPA1 receptor antagonist | Acturum Life Science AB (SE) | 2014-10-14 | — | — | US | disclosed |
| US-20140148466-A1 | TRPA1 Receptor Antagonist | ASTRAZENECA INTELLECTUAL PROPERTY (GB) | 2014-05-29 | — | — | US | disclosed |
| US-7160888-B2 | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | WARNER LAMBERT COMPANY LLC (US) | 2007-01-09 | — | — | US | disclosed |
| US-20060287309-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC | 2006-12-21 | — | — | US | disclosed |
| US-20060287310-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC | 2006-12-21 | — | — | US | disclosed |
| EP-1660497-A1 | [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005019215-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043309-A1 | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | WARNER-LAMBERT COMPANY LLC | 2005-02-24 | — | — | US | disclosed |
| WO-1998025617-A1 | SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| US-5607936-A | USEFUL IN TREATMENT OF RESPIRATORY DISEASES | MERCK & CO., INC. (US) | 1997-03-04 | — | — | US | disclosed |
| WO-1996010568-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1996-04-11 | — | — | WO | disclosed |
| EP-0340836-A2 | Alkylpiperazinylpyridines as hypoglycemic agents | MERCK & CO. INC. (US) | 1989-11-08 | — | — | EP | disclosed |
| US-4876256-A | Alkylpiperazinylpyridines as hypoglycemic agents | MERCK & CO., INC. (US) | 1989-10-24 | — | — | 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 (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-20050043309-A1 | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | DRD1, DRD2, DRD3 | HTR3E 1510/4885HTR3B 1000/4885HTR3A 1159/4885 |
| US-20140148466-A1 | TRPA1 Receptor Antagonist | TRPA1, TRPV1, TRPV2 | HTR3E 307/4885HTR3B 177/4885HTR3A 129/4885 |
| US-20060287309-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | DRD1, DRD2, DRD3 | HTR3E 1510/4885HTR3B 1000/4885HTR3A 1159/4885 |
| US-20060287310-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | DRD1, DRD2, DRD3 | HTR3E 1510/4885HTR3B 1000/4885HTR3A 1159/4885 |
“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.