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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | VRK1 | Q99986 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RAD52 | P43351 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1137323 | 0.97 | THRB (0.46) | THRBVRK1ESR1ESR2ERN1 | |
| SCHEMBL22133464 | 0.86 | THRB (0.42) | THRBVRK1ESR2ERN1KDM4E | |
| Hydrochloric Acid SCHEMBL21811349 | 0.83 | ALDH1A1 (0.41) | THRBVRK1KDM4EMAPTALDH1A1 | |
| SCHEMBL21908877 | 0.79 | ALDH1A1 (0.43) | THRBVRK1ESR1ESR2KDM4E | |
| SCHEMBL4844609 | 0.79 | THRB (0.68) | THRBVRK1ESR1ESR2KDM4E | |
| SCHEMBL26467101 | 0.79 | GAA (0.46) | THRBVRK1ESR1ESR2MAPT | |
| SCHEMBL9769337 | 0.76 | TSHR (0.43) | THRBVRK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL12640736 | 0.74 | TDP1 (0.55) | THRBESR2KDM4EMAPTRECQL | |
| SCHEMBL5511737 | 0.72 | CA1 (0.36) | THRBESR2KDM4EMAPTHSD17B10 | |
| SCHEMBL111459 | 0.71 | CES2 (0.41) | THRBMAPTALDH1A1TSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8329716-B2 | e.g. N4-{3-Fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}pyrimidine-2,4-diamine; cardiovascular disorders; lower the blood pressure, increase coronary-perfusion, relax vessels; antitumor agent, metastasis; side effect reduction | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-12-11 | — | — | US | disclosed |
| US-7737153-B2 | Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-15 | — | — | US | disclosed |
| EP-1751153-B1 | HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2008-12-03 | — | — | EP | disclosed |
| EP-1709043-B1 | PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES | BAYER HEALTHCARE AG (DE) | 2008-12-03 | — | — | EP | disclosed |
| US-20080249105-A1 | Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases | BAYER HEALTHCARE AG (DE) | 2008-10-09 | — | — | US | disclosed |
| US-20080139595-A1 | Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors | BAYER HEALTHCARE AG (DE) | 2008-06-12 | — | — | US | disclosed |
| US-20060241127-A1 | Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors | BAYER HEALTHCARE AG (DE) | 2006-10-26 | — | — | US | disclosed |
| EP-1709043-A1 | PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES | Bayer HealthCare AG (DE) | 2006-10-11 | — | — | EP | disclosed |
| EP-1562935-B1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2006-09-06 | — | — | EP | disclosed |
| EP-1562935-A1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | Bayer HealthCare AG (DE) | 2005-08-17 | — | — | EP | disclosed |
| WO-2005058891-A1 | PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES | BAYER HEALTHCARE AG (DE) | 2005-06-30 | — | — | WO | disclosed |
| WO-2004039796-A1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2004-05-13 | — | — | WO | disclosed |
| US-20040067911-A1 | Isoquinuclidine derivative process for producing the same, and medicinal composition containing the same | KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) | 2004-04-08 | — | — | US | disclosed |
| EP-1375500-A1 | ISOQUINUCLIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME | Kotobuki Pharmaceutical Co., Ltd. (JP) | 2004-01-02 | — | — | 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-20080249105-A1 | Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases | PHB2, PHB1, TNNT2 | ESR1 3242/4885ESR2 2661/4885THRB 3824/4885 |
| US-20040067911-A1 | Isoquinuclidine derivative process for producing the same, and medicinal composition containing the same | CLIC4, INSR, CPT1A | ESR1 4301/4885ESR2 3912/4885THRB 2436/4885 |
| US-20060241127-A1 | Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors | ROCK1, ROCK2, RHOA | ESR1 4505/4885ESR2 3650/4885THRB 3354/4885 |
| US-20080139595-A1 | Hetaryloxy-Substituted Phenylamino Pyrimidines as Rho Kinase Inhibitors | TNK2, ROCK1, ROCK2 | ESR1 4027/4885ESR2 3599/4885THRB 2841/4885 |
“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.