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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.51 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.51 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.51 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.42 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.39 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.39 |
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
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 SCHEMBL20744290 | 1.00 | OPRM1 (0.51) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30305364 | 1.00 | OPRM1 (0.51) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL29602661 | 0.98 | OPRM1 (0.53) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL171507 | 0.98 | OPRM1 (0.53) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| Formic Acid SCHEMBL3905110 | 0.90 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL9023712 | 0.85 | OPRM1 (0.49) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL24455261 | 0.85 | OPRM1 (0.60) | OPRM1OPRD1OPRK1OPRL1CYP1A2 | |
| SCHEMBL536677 | 0.81 | OPRM1 (0.57) | OPRM1OPRD1OPRK1OPRL1CYP1A2 | |
| SCHEMBL537135 | 0.81 | OPRM1 (0.57) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL29980976 | 0.81 | OPRM1 (0.57) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102241666-A | Method for producing hydrochloride of dopamine D4 receptor agonist A-412997 | SUZHOU ITIC MEDCHEM CO LTD | 2011-11-16 | — | — | CN | claimed |
| EP-2709451-B1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2015-12-30 | — | — | EP | disclosed |
| US-9206200-B2 | N-linked lactam M1 receptor positive allosteric mogulators | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20150065498-A1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2015-03-05 | — | — | US | disclosed |
| EP-2515656-B1 | AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2014-08-06 | — | — | EP | disclosed |
| EP-2709451-A1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2014-03-26 | — | — | EP | disclosed |
| US-8383638-B2 | Aminobenzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME (US) | 2013-02-26 | — | — | US | disclosed |
| WO-2012158475-A1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-11-22 | — | — | WO | disclosed |
| EP-2515656-A1 | AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| US-20120264761-A1 | Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME LLC | 2012-10-18 | — | — | US | disclosed |
| CN-102241666-A | Method for producing hydrochloride of dopamine D4 receptor agonist A-412997 | SUZHOU ITIC MEDCHEM CO LTD | 2011-11-16 | — | — | CN | disclosed |
| WO-2011084371-A1 | AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |
| US-20090062277-A1 | PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. | 2009-03-05 | — | — | US | disclosed |
| WO-2009025823-A1 | PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2009-02-26 | — | — | WO | disclosed |
| US-6294537-B1 | NEUROKININS USED FOR TREATMENT OF DISEASES | SANOFI-SYNTHELABO (FR) | 2001-09-25 | — | — | US | disclosed |
| US-6124316-A | ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS | SANOFI (FR) | 2000-09-26 | — | — | US | disclosed |
| CN-1056605-C | Compounds as selective antagonists of human tachykinin III receptor and uses thereof | SANOFI CORP (FR) | 2000-09-20 | — | — | CN | disclosed |
| US-5942523-A | NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES | SANOFI (FR) | 1999-08-24 | — | — | US | disclosed |
| US-5741910-A | PIPERIDINE DERIVATIVE INTERMEDIATES | SANOFI (FR) | 1998-04-21 | — | — | US | disclosed |
| CN-1128756-A | Compounds as selective antagonists of the human tachykinin III receptor and uses thereof | SANOFI CORP (FR) | 1996-08-14 | — | — | 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 (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-20150065498-A1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | CHRM1, OPRL1, OPRM1 | OPRM1 3/4885OPRD1 5/4885OPRK1 14/4885 |
| US-20120264761-A1 | Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators | CHRM1, OPRL1, MTNR1B | OPRM1 5/4885OPRD1 13/4885OPRK1 8/4885 |
| US-20090062277-A1 | PHOSPHODIESTERASE 10 INHIBITORS | PDE5A, PDE12, PDE10A | OPRM1 2663/4885OPRD1 333/4885OPRK1 827/4885 |
“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.