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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.51 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.51 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.51 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.51 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.51 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.51 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.51 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.46 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.46 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.46 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.46 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CASP1 | P29466 | 5/20 | 0.49 |
| ▸ | CASP7 | P55210 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
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 SCHEMBL15008176 | 1.00 | ALDH1A1 (0.56) | ALDH1A1KDM4EADRB1HTR3EHTR3B | |
| SCHEMBL8785247 | 0.98 | ALDH1A1 (0.53) | ALDH1A1KDM4EADRB1HTR3EHTR3B | |
| SCHEMBL9400910 | 0.82 | TGFBR1 (0.58) | ALDH1A1KDM4EADRB1HTR3EHTR3B | |
| SCHEMBL31398803 | 0.80 | CHRNB2 (0.56) | ALDH1A1KDM4ECYP1A2CASP1CASP7 | |
| SCHEMBL29656709 | 0.79 | KMT2A (0.50) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28966659 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KDM4EADRB1CYP1A2CASP1 | |
| SCHEMBL25182342 | 0.79 | TAAR1 (0.68) | ALDH1A1KDM4EADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL25312047 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4EADRB1CYP1A2CASP1 | |
| SCHEMBL6927120 | 0.78 | KMT2A (0.49) | ALDH1A1KDM4EHTR3ACYP1A2CASP1 | |
| SCHEMBL7991455 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EADRB1HTR3ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2804854-B1 | SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2016-03-16 | — | — | EP | disclosed |