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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.63 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.62 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.62 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.62 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.54 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.66 |
| ▸ | CCR3 | P51677 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4816046 | 0.99 | ALDH1A1 (0.80) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL9312362 | 0.93 | ALDH1A1 (0.68) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL9057167 | 0.88 | POLB (0.65) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| SCHEMBL666457 | 0.87 | ALDH1A1 (0.70) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| SCHEMBL7968189 | 0.86 | KMT2A (0.65) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL11194779 | 0.86 | ALDH1A1 (0.59) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| SCHEMBL6042553 | 0.85 | OPRL1 (0.66) | ALDH1A1POLBOPRL1CCR3KMT2A | |
| SCHEMBL3081018 | 0.84 | ALDH1A1 (0.60) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL4812106 | 0.84 | POLB (0.64) | ALDH1A1POLBOPRL1OPRM1CCR3 | |
| SCHEMBL240629 | 0.84 | OPRL1 (0.73) | ALDH1A1POLBOPRL1SIGMAR1OPRM1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900228-B1 | Opiate compounds, methods of making and methods of use | RESEARCH TRIANGLE INSTITUTE (US) | 2005-05-31 | — | — | US | disclosed |
| EP-1512683-A1 | Novel opiate compounds, methods of making and methods of use | RESEARCH TRIANGLE INSTITUTE (US) | 2005-03-09 | — | — | EP | disclosed |
| US-20040146518-A1 | Novel opiate compounds, methods of making and methods of use | RESEARCH TRIANGLE INSTITUTE (US) | 2004-07-29 | — | — | US | disclosed |
| US-20030158415-A1 | Novel opiate compounds, methods of making and methods of use | RESEARCH TRIANGLE INSTITUTE | 2003-08-21 | — | — | US | disclosed |
| US-6593348-B2 | N-substituted(+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl)piperidine compounds; opiod receptors | RESEARCH TRIANGLE INSTITUTE | 2003-07-15 | — | — | US | disclosed |
| US-6552032-B2 | N-substituted (+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine (4a) derivatives | RESEARCH TRIANGLE INSTITUTE | 2003-04-22 | — | — | US | disclosed |
| US-6531481-B2 | Opioid receptor antagonists and agonists; for example, a 1-(arylcarbonylaminoalkyl),3,4-dimethyl-4-(3-hydroxyphenyl)-piperidine compound of given formula | RESEARCH TRIANGLE INSTITUTE | 2003-03-11 | — | — | US | disclosed |
| US-20020193602-A1 | Novel opiate compounds, methods of making and methods of use | RESEARCH TRIANGLE INSTITUTE (US) | 2002-12-19 | — | — | US | disclosed |
| US-20020169324-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | RESEARCH TRIANGLE INSTITUTE (US) | 2002-11-14 | — | — | US | disclosed |
| US-20020165396-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | RESEARCH TRIANGLE INSTITUTE (US) | 2002-11-07 | — | — | US | disclosed |
| EP-1061919-A4 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | RES TRIANGLE INST (US) | 2002-09-04 | — | — | EP | disclosed |
| US-6172073-B1 | BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS | ELI LILLY AND COMPANY | 2001-01-09 | — | — | US | disclosed |
| EP-1061919-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | Carrol, Frank Ivy (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999045925-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | RESEARCH TRIANGLE INSTITUTE (US) | 1999-09-16 | — | — | WO | disclosed |
| US-5789402-A | Compounds having effects on serotonin-related systems | ELI LILLY COMPANY (US) | 1998-08-04 | — | — | US | disclosed |
| US-5741789-A | HETERO-OXY ALKANAMINES | ELI LILLY AND COMPANY (US) | 1998-04-21 | — | — | US | disclosed |
| US-5627196-A | ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS | ELI LILLY AND COMPANY (US) | 1997-05-06 | — | — | US | disclosed |
| US-5614523-A | INDOLYLOXY COMPOUNDS | ELI LILLY AND COMPANY (US) | 1997-03-25 | — | — | US | disclosed |
| US-5576321-A | ALKOXY-SUBSTITUTED INDOLES | ELI LILLY AND COMPANY (US) | 1996-11-19 | — | — | US | disclosed |
| EP-0722941-A2 | Compounds having effects on serotonin-related systems | ELI LILLY AND COMPANY (US) | 1996-07-24 | — | — | EP | 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-20020169324-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | OPRK1, OPRM1, OPRL1 | SIGMAR1 6/4885OPRM1 2/4885OPRD1 5/4885 |
| US-20030158415-A1 | Novel opiate compounds, methods of making and methods of use | OPRL1, OPRM1, OPRK1 | SIGMAR1 6/4885OPRM1 2/4885OPRD1 5/4885 |
| US-20020193602-A1 | Novel opiate compounds, methods of making and methods of use | OPRK1, OPRM1, OPRL1 | SIGMAR1 6/4885OPRM1 2/4885OPRD1 5/4885 |
| US-20020165396-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | OPRK1, OPRM1, OPRL1 | SIGMAR1 6/4885OPRM1 2/4885OPRD1 5/4885 |
| US-20040146518-A1 | Novel opiate compounds, methods of making and methods of use | OPRK1, OPRM1, OPRL1 | SIGMAR1 6/4885OPRM1 2/4885OPRD1 5/4885 |
“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.