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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.39 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.39 |
| ▸ | PRKD3 known ✓ | O94806 | 2/20 | 0.35 |
| ▸ | LCK known ✓ | P06239 | 2/20 | 0.35 |
| ▸ | SRC known ✓ | P12931 | 2/20 | 0.35 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.35 |
| ▸ | PRKCG known ✓ | P05129 | 1/20 | 0.35 |
| ▸ | PRKCB known ✓ | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA known ✓ | P17252 | 1/20 | 0.35 |
| ▸ | PRKCH known ✓ | P24723 | 1/20 | 0.35 |
| ▸ | PRKCI known ✓ | P41743 | 1/20 | 0.35 |
| ▸ | PRKCE known ✓ | Q02156 | 1/20 | 0.35 |
| ▸ | PRKCQ known ✓ | Q04759 | 1/20 | 0.35 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.35 |
| ▸ | PRKCD known ✓ | Q05655 | 1/20 | 0.35 |
| ▸ | PRKD1 known ✓ | Q15139 | 1/20 | 0.35 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.34 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.34 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.34 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7659251 | 1.00 | ABL1 (0.39) | ABL1EGFRABL2ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7843046 | 1.00 | ABL1 (0.39) | ABL1EGFRABL2ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7659256 | 1.00 | ABL1 (0.39) | ABL1EGFRABL2ALDH1A1CYP1A2 | |
| SCHEMBL19553770 | 0.85 | ADORA2A (0.49) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21392942 | 0.81 | ADCY5 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6821629 | 0.80 | ADORA2A (0.50) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL2951838 | 0.79 | ADORA2A (0.51) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL1375991 | 0.79 | ADORA2A (0.51) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21393219 | 0.78 | ADCY5 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7847620 | 0.78 | ABL1 (0.38) | ABL1EGFRABL2HCAR1ADORA2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436947-B1 | TO PREVENT ALLOGRAFT REJECTION; AUTOIMMUNE DISEASES DUE TO ACTION OF T-CELLS AS INSULIN-DEPENDENT DIABETES, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS; SUPPRESSION OF HUMORAL IMMUNE RESPONSE IN TREATMENT OF MYESTHENIAGRAVIS, LUPUS ERYTHEMATOSUS | AVENTIS PHARMACEUTICALS INC. | 2002-08-20 | — | — | US | disclosed |
| EP-0545413-B1 | Trans cyclopentanyl purine analogs useful as immunosuppressants | AVENTIS PHARMA INC (US) | 2000-07-12 | — | — | EP | disclosed |
| US-5929079-A | TREATMENT OF MYESTHENIAGRAVIS, MULTIPLE SCLEROSIS, SYSTEMIC LUPUS ERYTHEMATOSUS | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-27 | — | — | US | disclosed |
| US-5916892-A | ADMINISTERING TO THE PATIENT SUFFERING OF ALLOGRAFT REJECTION, AUTOIMMUNE DISEASE, INSULIN-DEPENDENT DIABETIC MELLITUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, MYESTHENIA GRAVIS, LUPUS ERYTHEMATOSUS AND SEPTIC SHOCK SYNDROME | HOECHST MARION ROUSSEL, INC. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5817660-A | TRIAZOLOPYRIMIDINES | HOECHST MARION ROUSSEL, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5817672-A | IMIDAZOPYRIDINES | HOECHST MARION ROUSSEL, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5723466-A | AUTOIMMUNE DISEASES, ANTIARTHRITIC AGENTS AND IMMUNOSUPPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5514688-A | Carbocyclic adenosine analogs useful as immunosuppressants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-05-07 | — | — | US | disclosed |
| EP-0545413-A1 | Novel trans cyclopentanyl purine analogs useful as immunosuppressants | HOECHST MARION ROUSSEL, INC. (US) | 1993-06-09 | — | — | EP | disclosed |