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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 7/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 7/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 7/20 | 0.41 |
| ▸ | SLC6A1 known ✓ | P30531 | 2/20 | 0.38 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.38 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.38 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.38 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.38 |
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B known ✓ | P08514 | 1/20 | 0.36 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.38 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.38 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.38 |
| ▸ | CPN1 | P15169 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.37 |
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 SCHEMBL27470440 | 1.00 | TDP1 (0.42) | TDP1CHRM2CHRM1CHRM3ALOX15 | |
| SCHEMBL7420286 | 0.98 | CHRM2 (0.42) | TDP1CHRM2CHRM1CHRM3ALOX15 | |
| Benzene SCHEMBL3357152 | 0.92 | CHRM3 (0.49) | TDP1CHRM2CHRM1CHRM3ALOX15 | |
| SCHEMBL3325494 | 0.86 | SLC6A1 (0.50) | CHRM3ALOX15SLC6A1GABRA5GABRB2 | |
| Hydrochloric Acid SCHEMBL28064641 | 0.85 | — | — | |
| SCHEMBL17029138 | 0.83 | ALDH1A1 (0.43) | CHRM2CHRM1CHRM3 | |
| SCHEMBL5696892 | 0.83 | ALDH1A1 (0.43) | CHRM2CHRM1CHRM3 | |
| SCHEMBL6256094 | 0.83 | — | — | |
| SCHEMBL27271725 | 0.82 | ALDH1A1 (0.46) | TDP1CHRM2CHRM1CHRM3ALOX15 | |
| Hydrochloric Acid SCHEMBL7418852 | 0.81 | TDP1 (0.40) | TDP1CHRM2CHRM1CHRM3ALOX15 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1183770-A | Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation | THOMAE GMBH DR K (DE) | 1998-06-03 | — | — | CN | disclosed |
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |
| CN-1131665-A | Piperazine derivatives, medicaments comprising these compounds, their use and processes for their preparation | THOMAE GMBH DR K (DE) | 1996-09-25 | — | — | CN | disclosed |
| CN-1087904-A | Carboxylic acid derivative, the pharmaceutical composition that contains these compounds with and preparation method thereof | KRAL THOMAE GMBH (DE) | 1994-06-15 | — | — | CN | disclosed |