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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 6/20 | 0.52 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 5/20 | 0.52 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.52 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.52 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.52 |
| ▸ | KDM4C | Q9H3R0 | 9/20 | 0.69 |
| ▸ | KDM5A | P29375 | 7/20 | 0.69 |
| ▸ | KDM5C | P41229 | 1/20 | 0.69 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.69 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.67 |
| ▸ | KDM4A | O75164 | 2/20 | 0.65 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.52 |
| ▸ | PPARD | Q03181 | 6/20 | 0.52 |
| ▸ | PPARA | Q07869 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL365810 | 0.98 | KDM4C (0.71) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL28434194 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL8359768 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL27622230 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL8626544 | 0.96 | KDM4C (0.69) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL29380393 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL8341418 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL5984578 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL11587594 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 | |
| SCHEMBL5595565 | 0.96 | KDM4C (0.72) | KDM4CKDM5AKDM5CKDM5BPHF8 |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397479-A | Preparation method of sodium ibandronate | 安徽省润生医药股份有限公司 | 2017-02-15 | — | — | CN | claimed |
| EP-1807090-B9 | PROCESS FOR THE PREPARATION OF IBANDRONATE | HOFFMANN LA ROCHE (CH) | 2011-11-09 | — | — | EP | claimed |
| WO-2011016738-A1 | A PROCESS FOR THE SYNTHESIS OF 1-HYDROXY-3-(N-METHYLPENTYLAMINO) PROPYLIDENE BISPHOSPHONIC ACID MONOSODIUM SALT, MONOHYDRATE | ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) | 2011-02-10 | — | — | WO | claimed |
| EP-1807090-B1 | PROCESS FOR THE PREPARATION OF IBANDRONATE | HOFFMANN LA ROCHE (CH) | 2011-02-09 | — | — | EP | claimed |
| EP-2180003-A1 | Preparation of ibandronate trisodium | Zentiva, k.s. (CZ) | 2010-04-28 | — | — | EP | claimed |
| WO-2009093258-A2 | A NEW AND IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM MONOHYDRATE | FLEMING LABORATORIES LIMITED (IN) | 2009-07-30 | — | — | WO | claimed |
| EP-2046342-A2 | CRYSTALLINE FORM A OF IBANDRONIC ACID AND PROCESS FOR THE PREPARATION | Dr. Reddy's Laboratories Ltd. (IN) | 2009-04-15 | — | — | EP | claimed |
| WO-2008014510-A2 | CRYSTALLINE FORM A OF IBANDRONIC ACID AND PROCESS FOR THE PREPARATION | DR. REDDY'S LABORATORIES LIMITED (IN) | 2008-01-31 | — | — | WO | claimed |
| EP-1807090-A2 | PROCESS FOR THE PREPARATION OF IBANDRONATE | F. Hoffmann-La Roche AG (CH) | 2007-07-18 | — | — | EP | claimed |
| WO-2006045578-A2 | PROCESS FOR THE PREPARATION OF IBANDRONATE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | WO | claimed |
| EP-2662380-B1 | Medical use of Ibandronate polymorph A | ATNAHS PHARMA UK LTD (GB) | 2018-11-21 | — | — | EP | disclosed |
| CN-106397479-A | Preparation method of sodium ibandronate | 安徽省润生医药股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-204918434-U | Novel production of 3 - (penta amino of N - methyl) propionate butyrate device | XINYI WANYU INDUSTRY AND TRADE CO LTD | 2015-12-30 | — | — | CN | disclosed |
| EP-1848727-B1 | IBANDRONATE POLYMORPH B | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | disclosed |
| CN-102898466-B | Preparation method of sodium ibandronate | JIANGSU AOSAIKANG PHARM CO LTD | 2015-05-27 | — | — | CN | disclosed |
| WO-2006081963-A1 | IBANDRONATE POLYMORPH A | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |
| US-20060172976-A1 | crystallization in a polar solvent selected from water, acetone, or tetrahydrofuran; drug inhibiting osteoclast, treating osteoporosis | HOFFMANN-LA ROCHE INC. | 2006-08-03 | — | — | US | disclosed |
| US-20060172975-A1 | Ibandronate polymorph | HOFFMANN-LA ROCHE INC. | 2006-08-03 | — | — | US | disclosed |
| US-20060094898-A1 | Method for synthesizing bisphosphonate | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | US | disclosed |
| WO-2006045578-A2 | PROCESS FOR THE PREPARATION OF IBANDRONATE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | WO | 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-20060094898-A1 | Method for synthesizing bisphosphonate | BPGM, PHPT1, PPIP5K2 | PPARG 2452/4885HDAC11 2419/4885ESR1 2508/4885 |
| US-20060172976-A1 | crystallization in a polar solvent selected from water, acetone, or tetrahydrofuran; drug inhibiting osteoclast, treating osteoporosis | SOST, BECN1, CXCL12 | PPARG 750/4885HDAC11 801/4885ESR1 2619/4885 |
| US-20060172975-A1 | Ibandronate polymorph | BPGM, PTH1R, P2RY11 | PPARG 899/4885HDAC11 2913/4885ESR1 1650/4885 |
“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.