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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 16/20 | 0.48 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.41 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.41 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9524290 | 0.97 | CYP19A1 (0.47) | CYP19A1HCAR3CYP11B1CYP17A1MEN1 | |
| Oxalic Acid SCHEMBL9867754 | 0.95 | CYP19A1 (0.46) | CYP19A1HCAR3CYP11B1CYP17A1MEN1 | |
| SCHEMBL2352227 | 0.87 | CYP19A1 (0.58) | CYP19A1CYP11B1CYP17A1MEN1NR1I2 | |
| Oxalic Acid SCHEMBL9867759 | 0.85 | CYP19A1 (0.43) | CYP19A1CYP11B1CYP17A1ALDH1A1HPGD | |
| SCHEMBL9523312 | 0.83 | CYP19A1 (0.65) | CYP19A1CYP11B1CYP3A4 | |
| SCHEMBL9524627 | 0.78 | CYP19A1 (0.45) | CYP19A1CYP11B1CYP17A1 | |
| Oxalic Acid SCHEMBL27275153 | 0.77 | CYP19A1 (0.51) | CYP19A1HCAR3CYP11B1CYP17A1MEN1 | |
| Oxalic Acid SCHEMBL9527036 | 0.77 | CYP19A1 (0.51) | CYP19A1HCAR3CYP11B1CYP17A1MEN1 | |
| SCHEMBL3279238 | 0.76 | CYP19A1 (0.60) | CYP19A1CYP11B1CYP17A1MEN1NR1I2 | |
| SCHEMBL9524606 | 0.75 | CYP11B1 (0.46) | CYP19A1CYP11B1CYP17A1MEN1NR1I2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0293978-B1 | (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-15 | — | — | EP | disclosed |
| US-5039677-A | Estrogen inhibitor | JANSSEN PHARMACEUTICA N.V. (CA) | 1991-08-13 | — | — | US | disclosed |
| US-4943574-A | AROMATASE INHIBITORS, ESTROGEN DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-24 | — | — | US | disclosed |
| EP-0293978-A2 | (1H-azol-1-ylmethyl)substituted benzotriazole derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-12-07 | — | — | EP | disclosed |