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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.44 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.43 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.41 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 SCHEMBL4969343 | 1.00 | KMT2A (0.50) | KMT2ATSHRPTGS1PTGS2GAA | |
| SCHEMBL5936619 | 0.98 | KMT2A (0.51) | KMT2ATSHRPTGS1PTGS2GAA | |
| SCHEMBL14401989 | 0.98 | KMT2A (0.51) | KMT2ATSHRPTGS1PTGS2GAA | |
| Hydrochloric Acid SCHEMBL6366717 | 0.90 | SLC1A5 (0.48) | KMT2AL3MBTL1ALDH1A1CYP3A4LMNA | |
| SCHEMBL6366722 | 0.88 | SLC1A5 (0.49) | KMT2AL3MBTL1ALDH1A1CYP3A4LMNA | |
| SCHEMBL28497919 | 0.85 | PARP10 (0.53) | ALDH1A1NPC1MAPK1RAB9A | |
| Hydrochloric Acid SCHEMBL2106187 | 0.82 | NPC1 (0.54) | KMT2ATSHRGAATDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL14691126 | 0.82 | NPC1 (0.42) | KMT2ATSHRGAAALDH1A1LMNA | |
| SCHEMBL1221367 | 0.80 | MEN1 (0.56) | KMT2ATSHRGAATDP1ALDH1A1 | |
| SCHEMBL14691129 | 0.80 | NPC1 (0.44) | KMT2ATSHRGAAALDH1A1LMNA |
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 14 patents. 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-9828368-B2 | Oxazole orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-11-28 | — | — | US | disclosed |
| US-20160176858-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | US | disclosed |
| EP-3030233-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-06-15 | — | — | EP | disclosed |
| WO-2015018029-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-02-12 | — | — | WO | disclosed |
| WO-2015020930-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-02-12 | — | — | WO | disclosed |
| EP-1756089-B1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2008-10-22 | — | — | EP | disclosed |
| US-20070244138-A1 | Mercaptoimidazoles as Ccr2 Receptor Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-18 | — | — | US | disclosed |
| US-20070167456-A1 | Mercaptoimidazoles as ccr2 receptor antagonists | LOMMEN GUY R E | 2007-07-19 | — | — | US | disclosed |
| CN-101001844-A | Mercaptoimidazoles as CCR2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2007-07-18 | — | — | CN | disclosed |
| EP-1756089-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005118574-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-12-15 | — | — | WO | disclosed |
| CN-1225471-C | Compounds with growth hormone releasing properties | NOVO NORDISK AS (DK) | 2005-11-02 | — | — | CN | disclosed |
| US-5378803-A | Analgesics, substance P antagonists, peptides containing thiazole, oxazole or imidazole ring and indole ring | STERLING WINTHROP INC. (US) | 1995-01-03 | — | — | 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 (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-20070244138-A1 | Mercaptoimidazoles as Ccr2 Receptor Antagonists | CCR2, CCR1, CCR5 | PTGS1 1255/4885PTGS2 2327/4885GAA 4880/4885 |
| US-20160176858-A1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | PTGS1 1990/4885PTGS2 2197/4885GAA 1395/4885 |
| US-20070167456-A1 | Mercaptoimidazoles as ccr2 receptor antagonists | CCR2, CCR1, CCR5 | PTGS1 1077/4885PTGS2 2254/4885GAA 4880/4885 |
“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.