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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.48 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16232128 | 0.98 | SLC6A4 (0.50) | SLC6A4ENPP2GRM4LMNATSHR | |
| SCHEMBL16225231 | 0.98 | SLC6A4 (0.50) | SLC6A4ENPP2GRM4LMNATSHR | |
| SCHEMBL16232127 | 0.98 | SLC6A4 (0.50) | SLC6A4ENPP2GRM4LMNATSHR | |
| Hydrochloric Acid SCHEMBL1185938 | 0.85 | CA2 (0.52) | SLC6A4TSHR | |
| Hydrochloric Acid SCHEMBL19859137 | 0.83 | GRM4 (0.47) | ENPP2GRM4LMNATSHRMEN1 | |
| SCHEMBL16232125 | 0.82 | GAA (0.53) | SLC6A4GAACYP3A4 | |
| SCHEMBL16232126 | 0.82 | GAA (0.53) | SLC6A4GAACYP3A4 | |
| SCHEMBL13859430 | 0.82 | GAA (0.53) | SLC6A4GAACYP3A4 | |
| SCHEMBL11833604 | 0.82 | CA2 (0.53) | SLC6A4TSHR | |
| SCHEMBL19183290 | 0.81 | GRM4 (0.48) | ENPP2GRM4LMNATSHRMEN1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130296551-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | DAIICHI SANKYO CO LTD (JP) | 2013-11-07 | — | — | US | disclosed |
| EP-2463268-B1 | 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds | DAIICHI SANKYO CO LTD (JP) | 2013-08-28 | — | — | EP | disclosed |
| US-8507714-B2 | 7-membered ring compound and method of production and pharmaceutical application thereof | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-08-13 | — | — | US | disclosed |
| CN-102127023-B | 7-membered ring compound, process for producing the same, and use thereof | DAIICHI SANKYO CO LTD | 2013-02-06 | — | — | CN | disclosed |
| EP-1820798-B1 | 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF | DAIICHI SANKYO CO LTD (JP) | 2012-08-22 | — | — | EP | disclosed |
| CN-101495463-B | Seven-membered ring compound, production method thereof and pharmaceutical use thereof | DAIICHI SANKYO CO LTD | 2012-08-15 | — | — | CN | disclosed |
| EP-2463268-A1 | Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds | Daiichi Sankyo Company, Limited (JP) | 2012-06-13 | — | — | EP | disclosed |
| US-8049006-B2 | 7-membered ring compound and method of production and pharmaceutical application thereof | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-11-01 | — | — | US | disclosed |
| CN-102127023-A | 7-membered ring compound, process for producing the same, and use thereof | DAIICHI ASUBIO PHARMA CO LTD | 2011-07-20 | — | — | CN | disclosed |
| US-20110166342-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-07-07 | — | — | US | disclosed |
| US-7888348-B2 | 7-membered ring compound and method of production and pharmaceutical application thereof | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-02-15 | — | — | US | disclosed |
| CN-101160290-B | 7-membered ring compound, process for producing the same, and pharmaceutical use thereof | DAIICHI SANKYO CO LTD | 2011-01-19 | — | — | CN | disclosed |
| US-20090253683-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | ASUBIO PHARMA CO., LTD (JP) | 2009-10-08 | — | — | US | disclosed |
| CN-101495463-A | Seven-membered ring compound, production method thereof and pharmaceutical use thereof | ASUBIO PHARMA CO LTD (JP) | 2009-07-29 | — | — | CN | disclosed |
| US-20090111796-A1 | 7-membered ring compound and method of production and pharmaceutical application thereof | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-04-30 | — | — | US | disclosed |
| EP-2025672-A1 | SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF | Asubio Pharma Co., Ltd. (JP) | 2009-02-18 | — | — | EP | disclosed |
| CN-101160290-A | 7-membered ring compound, process for producing the same, and pharmaceutical use thereof | ASUBIO PHARMA CO LTD (JP) | 2008-04-09 | — | — | CN | disclosed |
| EP-1820798-A1 | 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF | Asubio Pharma Co., Ltd. (JP) | 2007-08-22 | — | — | 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-20090111796-A1 | 7-membered ring compound and method of production and pharmaceutical application thereof | CMA1, CPA3, SI | SLC6A4 2240/4885GAA 22/4885PTGS2 1370/4885 |
| US-20130296551-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | CMA1, CPA3, SI | SLC6A4 2240/4885GAA 22/4885PTGS2 1370/4885 |
| US-20090253683-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | CMA1, CPA3, SI | SLC6A4 2240/4885GAA 22/4885PTGS2 1370/4885 |
| US-20110166342-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | CMA1, CPA3, SI | SLC6A4 2240/4885GAA 22/4885PTGS2 1370/4885 |
“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.