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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 known ✓ | P07900 | 2/20 | 0.52 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.52 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.51 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.50 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.50 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.49 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.48 |
| ▸ | HSP90AB1 known ✓ | P08238 | 1/20 | 0.48 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.47 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.47 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | ACVR1 known ✓ | Q04771 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
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 SCHEMBL7313025 | 1.00 | HPGD (0.55) | HPGDHTTALDH1A1TSHRUSP2 | |
| SCHEMBL62795 | 0.98 | HPGD (0.56) | HPGDHTTALDH1A1TSHRUSP2 | |
| Bromide SCHEMBL15106751 | 0.97 | HPGD (0.55) | HPGDHTTALDH1A1TSHRUSP2 | |
| SCHEMBL64895 | 0.93 | HPGD (0.51) | HPGDHTTALDH1A1TSHRUSP2 | |
| SCHEMBL20188098 | 0.88 | HPGD (0.65) | HPGDHTTALDH1A1TSHRHSP90AA1 | |
| SCHEMBL22015905 | 0.88 | HPGD (0.65) | HPGDHTTALDH1A1TSHRHSP90AA1 | |
| Tert-Butyl Formate SCHEMBL27911780 | 0.87 | HPGD (0.46) | HPGDHTTALDH1A1TSHRUSP2 | |
| Hydrochloric Acid SCHEMBL10902411 | 0.86 | TSHR (0.55) | HPGDALDH1A1TSHRUSP2HSD17B10 | |
| SCHEMBL3918577 | 0.85 | TSHR (0.56) | HPGDALDH1A1TSHRUSP2HSD17B10 | |
| SCHEMBL3898465 | 0.84 | HPGD (0.61) | HPGDHTTALDH1A1TSHRHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086055-A | Treating asthma, rhinitis, atopic dermatitis, chronic hives and conjunctivitis | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-02-04 | — | — | US | disclosed |
| US-4960776-A | ANTIALLERGENS | A. H. ROBINS COMPANY, INC. (US) | 1990-10-02 | — | — | US | disclosed |
| US-4882330-A | 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-11-21 | — | — | US | disclosed |
| EP-0277725-A2 | 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-08-10 | — | — | EP | disclosed |
| EP-0269383-A2 | 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-06-01 | — | — | EP | disclosed |
| US-4616086-A | ANTICOAGULANTS | BOEHRINGER MANNHEIM GMBH (DE) | 1986-10-07 | — | — | US | disclosed |