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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.45 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.40 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.40 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13173233 | 0.99 | CCR5 (0.46) | CCR5PRKAA2MLNRKCNH2ACHE | |
| SCHEMBL13173152 | 0.92 | CCR5 (0.47) | CCR5PRKAA2MLNRKCNH2ACHE | |
| SCHEMBL13354304 | 0.88 | KCNH2 (0.46) | KCNH2MCHR1LTA4HGPR119 | |
| SCHEMBL2847279 | 0.88 | MCHR1 (0.45) | CCR5KCNH2MCHR1LTA4HGPR119 | |
| Hydrochloric Acid SCHEMBL2841731 | 0.88 | KCNH2 (0.51) | CCR5KCNH2MCHR1ALDH1A1 | |
| SCHEMBL2841836 | 0.87 | CCR3 (0.46) | CCR5PRKAA2MLNRKCNH2HRH3 | |
| SCHEMBL2850149 | 0.87 | KCNH2 (0.52) | CCR5KCNH2MCHR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2840263 | 0.86 | POLB (0.48) | CCR5KCNH2ACHECHRM4MCHR1 | |
| SCHEMBL13173197 | 0.86 | KCNH2 (0.44) | KCNH2MCHR1LTA4HGPR119 | |
| Bromide SCHEMBL2840704 | 0.86 | KCNH2 (0.51) | CCR5KCNH2MCHR1ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2679586-B1 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO CO LTD (JP) | 2016-02-10 | — | — | EP | disclosed |
| US-9156817-B2 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-10-13 | — | — | US | disclosed |
| US-9139559-B2 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-09-22 | — | — | US | disclosed |
| US-20140336209-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | DAIICHI SANKYO CO LTD (JP) | 2014-11-13 | — | — | US | disclosed |
| US-20140221409-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-08-07 | — | — | US | disclosed |
| EP-2679586-A1 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | Daiichi Sankyo Company, Limited (JP) | 2014-01-01 | — | — | EP | disclosed |
| US-8592435-B2 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| US-20120258978-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-10-11 | — | — | US | disclosed |
| US-20100130739-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | ASUBIO PHARMA CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2151439-A1 | NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME | Asubio Pharma Co., Ltd. (JP) | 2010-02-10 | — | — | 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 (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-20120258978-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, BDNF | CCR5 387/4885KCNH2 1878/4885ACHE 2761/4885 |
| US-20140221409-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, NRP1 | CCR5 381/4885KCNH2 843/4885ACHE 1273/4885 |
| US-20140336209-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, NRP1 | CCR5 381/4885KCNH2 843/4885ACHE 1273/4885 |
| US-20100130739-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, NRP1 | CCR5 381/4885KCNH2 843/4885ACHE 1273/4885 |
“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.