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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 6/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.32 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.31 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.30 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL13519177 | 1.00 | ADRA1A (0.38) | ADRA1AADRA1DRAB9AAKT1PDCD1 | |
| Hydrochloric Acid SCHEMBL6421110 | 0.98 | ADRA1A (0.37) | ADRA1AADRA1DRAB9AAKT1PDCD1 | |
| SCHEMBL399938 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2260579 | 0.83 | RAB9A (0.35) | ADRA1ARAB9APOLBPNMTCD44 | |
| Hydrochloric Acid SCHEMBL11515823 | 0.83 | RAB9A (0.35) | ADRA1ARAB9APOLBPNMTCD44 | |
| SCHEMBL550173 | 0.83 | ADRA1A (0.40) | ADRA1AADRA1DRAB9AAKT1POLB | |
| SCHEMBL159520 | 0.81 | — | — | |
| SCHEMBL17380256 | 0.78 | — | — | |
| SCHEMBL31698792 | 0.73 | ADRA1A (0.33) | ADRA1ARAB9APNMT | |
| Hydrochloric Acid SCHEMBL1018236 | 0.73 | GMNN (0.37) | PNMT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111848577-B | N- (hetero) aryl-substituted heterocyclic derivatives useful in the treatment of diseases or conditions associated with the central nervous system | 克罗诺斯治疗有限公司 | 2023-09-01 | — | — | CN | disclosed |
| EP-3194385-B3 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | CHRONOS THERAPEUTICS LTD (GB) | 2021-02-17 | — | — | EP | disclosed |
| EP-3194385-B1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | CHRONOS THERAPEUTICS LTD (GB) | 2018-06-20 | — | — | EP | disclosed |
| US-9920053-B2 | N-(hetero)aryl-substituted heteroyclic derivatives useful for the treatment of diseases or conditions related to the central nervous system | CHRONOS THERAPEUTICS LIMITED (GB) | 2018-03-20 | — | — | US | disclosed |
| US-20170253592-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| EP-2809668-B1 | 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2017-04-12 | — | — | EP | disclosed |
| US-9266876-B2 | 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-02-23 | — | — | US | disclosed |
| US-20140371204-A1 | 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2014-12-18 | — | — | US | disclosed |
| EP-2809668-A1 | 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2014-12-10 | — | — | EP | disclosed |
| WO-2013114332-A1 | 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-08-08 | — | — | WO | disclosed |
| WO-2012172043-A1 | PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS | LABORATOIRE BIODIM (FR) | 2012-12-20 | — | — | WO | disclosed |
| WO-2011079105-A1 | NOVEL THIENOPYRROLE COMPOUNDS | ABBOTT LABORATORIES (US) | 2011-06-30 | — | — | WO | disclosed |
| US-20110152243-A1 | NOVEL THIENOPYRROLE COMPOUNDS | ABBOTT LABORATORIES (US) | 2011-06-23 | — | — | 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 (3 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-20110152243-A1 | NOVEL THIENOPYRROLE COMPOUNDS | TPMT, TSLP, THPO | ADRA1A 272/4885ADRA1D 230/4885HTR5A 288/4885 |
| US-20170253592-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SLC6A3, SLC6A2, SLC6A19 | ADRA1A 147/4885ADRA1D 86/4885HTR5A 131/4885 |
| US-20140371204-A1 | 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives | CXCR3, CXCR1, CXCR2 | ADRA1A 398/4885ADRA1D 391/4885HTR5A 720/4885 |
“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.