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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.31 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5987780 | 1.00 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1CA14CA12KMT2A | |
| SCHEMBL2930776 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL655143 | 0.86 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1CA14CA12KMT2A | |
| SCHEMBL279148 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1CA14CA12KMT2A | |
| Hydrochloric Acid SCHEMBL27879095 | 0.79 | SLC1A1 (0.41) | SMN1; SMN2ALDH1A1CA14CA12KMT2A | |
| SCHEMBL15836875 | 0.77 | — | — | |
| SCHEMBL2561278 | 0.76 | — | — | |
| SCHEMBL28336598 | 0.76 | — | — | |
| SCHEMBL27833677 | 0.76 | — | — | |
| SCHEMBL27554292 | 0.76 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3030233-B1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2019-10-09 | — | — | EP | disclosed |
| US-10435398-B2 | Oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2019-10-08 | — | — | US | disclosed |
| EP-3030234-B1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-09-19 | — | — | EP | disclosed |
| US-9920038-B2 | Methyl oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2018-03-20 | — | — | US | disclosed |
| US-9828368-B2 | Oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-11-28 | — | — | US | disclosed |
| US-20170320865-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-09 | — | — | US | disclosed |
| US-20170260177-A1 | METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-09-14 | — | — | US | disclosed |
| US-9695163-B2 | Thiazole orexin receptor antagonists | MERCK SHARP & DOHME CORP (US) | 2017-07-04 | — | — | US | disclosed |
| US-20160185768-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-30 | — | — | US | disclosed |
| US-20160176858-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | US | disclosed |
| US-8519137-B2 | Heteroaryl amides useful as inhibitors of voltage-gated sodium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-27 | — | — | US | disclosed |
| CN-101883760-A | Heteroaryl amides useful as inhibitors of voltage-gated sodium channels | VERTEX PHARMA | 2010-11-10 | — | — | CN | disclosed |
| EP-2227453-A2 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009049180-A2 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-16 | — | — | WO | disclosed |
| US-20090099233-A1 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-04-16 | — | — | US | disclosed |
| US-20070082908-A1 | Bicycle pyrazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-04-12 | — | — | US | disclosed |
| EP-1659123-A1 | BICYCLIC PYRAZOLE DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005019168-A2 | FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043292-A1 | Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors | PFIZER INC | 2005-02-24 | — | — | US | disclosed |
| CN-1289341-A | Thrombin inhibitors | BASF AG (DE) | 2001-03-28 | — | — | CN | 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-20050043292-A1 | Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors | DPP4, DPP7, ALPI | CA2 1229/4885GAA 535/4885SMN1; SMN2 2781/4885 |
| US-20170320865-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | CA2 1046/4885GAA 1397/4885SMN1; SMN2 2124/4885 |
| US-20090099233-A1 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | CACNA1B, SCN3A, SCN2A | CA2 233/4885GAA 1789/4885SMN1; SMN2 1406/4885 |
| US-10435398-B2 | Oxazole orexin receptor antagonists | HCRTR2, HCRTR1, OXTR | CA2 1046/4885GAA 1397/4885SMN1; SMN2 2124/4885 |
| US-20160185768-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | CA2 1023/4885GAA 1417/4885SMN1; SMN2 2627/4885 |
| US-20170260177-A1 | METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | CA2 1449/4885GAA 2906/4885SMN1; SMN2 1886/4885 |
| US-20160176858-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | CA2 1061/4885GAA 1395/4885SMN1; SMN2 2021/4885 |
| US-20070082908-A1 | Bicycle pyrazole derivative | DPP4, DPP7, DPP3 | CA2 1076/4885GAA 3757/4885SMN1; SMN2 2973/4885 |
“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.