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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 9/20 | 0.52 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.50 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 SCHEMBL6489177 | 0.84 | KMT2A (0.47) | OPRK1KMT2AMEN1SIGMAR1LMNA | |
| Hydrochloric Acid SCHEMBL5631193 | 0.84 | OPRK1 (0.55) | OPRK1KMT2AMEN1OPRM1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7692015 | 0.82 | OPRK1 (0.52) | OPRK1OPRM1CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6489173 | 0.81 | KMT2A (0.46) | KMT2AMEN1SIGMAR1LMNAKDM4E | |
| Hydrochloric Acid SCHEMBL5629634 | 0.81 | OPRK1 (0.52) | OPRK1KMT2AMEN1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5629641 | 0.81 | OPRK1 (0.52) | OPRK1KMT2AMEN1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL6347056 | 0.79 | OPRK1 (0.54) | OPRK1KMT2AMEN1LMNAMAPK1 | |
| SCHEMBL6480094 | 0.78 | OPRK1 (0.62) | OPRK1KMT2AMEN1OPRM1CYP3A4 | |
| SCHEMBL6490158 | 0.76 | OPRK1 (0.60) | OPRK1OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6490161 | 0.76 | OPRK1 (0.60) | OPRK1OPRM1CYP3A4CYP2D6CYP2C9 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030236248-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | KRUSE LAWRENCE I (US) | 2003-12-25 | — | — | US | claimed |
| US-20020042399-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION | 2002-04-11 | — | — | US | claimed |
| JP-2001510154-A | — | — | 2001-07-31 | — | — | JP | claimed |
| EP-0998281-A1 | KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH | Adolor Corporation (US) | 2000-05-10 | — | — | EP | claimed |
| WO-1999003468-A1 | KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH | ADOLOR CORPORATION (US) | 1999-01-28 | — | — | WO | claimed |
| US-7294647-B2 | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION (US) | 2007-11-13 | — | — | US | disclosed |
| US-6960612-B2 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION (US) | 2005-11-01 | — | — | US | disclosed |
| US-20040220112-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION | 2004-11-04 | — | — | US | disclosed |
| US-6750216-B2 | HETEROCYCLIC AMINES SUCH AS 2-(2-(N-METHYLSULFAMOYL)-4-METHOXY -PHENYL)-N-METHYL-N-((1S)-1-PHENYL-2-((1-PYRROLIDINYL)ETHYL)) ACETAMIDE, ADMINISTERED AS ANALGESICS | ADOLOR CORPORATION | 2004-06-15 | — | — | US | disclosed |
| US-20030236248-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | KRUSE LAWRENCE I (US) | 2003-12-25 | — | — | US | disclosed |
| US-20030144272-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION | 2003-07-31 | — | — | US | disclosed |
| US-RE38133-E1 | N-Arylalkylenecarbonyl-N-methyl-benzylamine derivatives; analgesics, opioid agonists, antiinflammatory agents | ADOLOR CORPORATION | 2003-06-03 | — | — | US | disclosed |
| US-6180623-B1 | USED AS ANALGESICS AND ANTI-PRURITIC AGENTS | ADOLOR CORPORATION | 2001-01-30 | — | — | US | disclosed |
| US-6057323-A | PIPERAZINE DERIVATIVES | ADOLOR CORPORATION (US) | 2000-05-02 | — | — | US | disclosed |
| US-6054445-A | KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS | ADOLOR CORPORATION (US) | 2000-04-25 | — | — | US | disclosed |
| US-6028063-A | ADMINISTERING COMPOUND WITH OPIOID ACTIVITY | ADOLOR CORPORATION (US) | 2000-02-22 | — | — | US | disclosed |
| US-5945443-A | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION (US) | 1999-08-31 | — | — | US | disclosed |
| US-5763445-A | Kappa agonist compounds pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| US-5744458-A | ANALGESICS | ADOLOR CORPORATION (US) | 1998-04-28 | — | — | US | disclosed |
| US-5688955-A | ANALGESICS | ADOLOR CORPORATION (US) | 1997-11-18 | — | — | 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 (4 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-20030236248-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | OPRK1, OPRD1, OPRM1 | OPRK1 1/4885OPRM1 3/4885SIGMAR1 5/4885 |
| US-20020042399-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | OPRK1, OPRD1, OPRM1 | OPRK1 1/4885OPRM1 3/4885SIGMAR1 5/4885 |
| US-20030144272-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | OPRK1, OPRD1, OPRM1 | OPRK1 1/4885OPRM1 3/4885SIGMAR1 5/4885 |
| US-20040220112-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | OPRK1, OPRD1, OPRM1 | OPRK1 1/4885OPRM1 3/4885SIGMAR1 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.