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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 5/20 | 0.40 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.38 |
| ▸ | UBE2M | P61081 | 6/20 | 0.39 |
| ▸ | DCUN1D1 | Q96GG9 | 6/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981093 | 0.99 | UBE2M (0.39) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| Hydrochloric Acid SCHEMBL1449812 | 0.96 | CCR5 (0.42) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| SCHEMBL1448587 | 0.95 | CCR5 (0.41) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| SCHEMBL30227264 | 0.95 | CCR5 (0.41) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| Hydrochloric Acid SCHEMBL1448990 | 0.92 | LTA4H (0.37) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| SCHEMBL2253110 | 0.91 | GALR3 (0.41) | CCR5UBE2MDCUN1D1MCHR1TP53 | |
| Hydrochloric Acid SCHEMBL843043 | 0.90 | UBE2M (0.41) | UBE2MDCUN1D1MCHR1TP53LMNA | |
| Hydrochloric Acid SCHEMBL842432 | 0.89 | LTA4H (0.37) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| Hydrochloric Acid SCHEMBL1449792 | 0.89 | CCR5 (0.42) | CCR5UBE2MDCUN1D1MCHR1LTA4H | |
| SCHEMBL1981028 | 0.89 | UBE2M (0.42) | UBE2MDCUN1D1MCHR1TP53LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8604207-B2 | Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-12-10 | — | — | US | disclosed |
| US-20130085275-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-04-04 | — | — | US | disclosed |
| US-8410276-B2 | Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-04-02 | — | — | US | disclosed |
| EP-2546234-A1 | Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-8143404-B2 | N-heterocycle urea compounds such as 5-([(butyl{1-[(2-methyl-6-{4-[(methylsulfonyl)amino]phenoxy)-3-pyridinyl)methyl]-4-piperidinyl}amino)carbonyl]amino)-2,4-difluorobenzamide; chemokine receptor CCR5 antagonists for various inflammatory diseases, autoimmune diseases, infectious diseases | ONO PHARMACEUTICAL CO., LTD (JP) | 2012-03-27 | — | — | US | disclosed |
| US-20110152520-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-06-23 | — | — | US | disclosed |
| US-20080057074-A1 | Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-03-06 | — | — | US | disclosed |
| EP-1790637-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-05-30 | — | — | 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 (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-20080057074-A1 | Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient | CXCR3, CCR5, CCR1 | CCR5 2/4885DRD2 2389/4885ADRA1A 865/4885 |
| US-20110152520-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT | CXCR3, CCR5, CCR1 | CCR5 2/4885DRD2 2231/4885ADRA1A 609/4885 |
| US-20130085275-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT | CXCR3, CCR5, CCR1 | CCR5 2/4885DRD2 2231/4885ADRA1A 609/4885 |
“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.