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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.52 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.50 |
| ▸ | CACNA1G known ✓ | O43497 | 2/20 | 0.48 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.47 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | FPR2 | P25090 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10911211 | 0.99 | KCNA5 (0.53) | KCNA5SIGMAR1SMN1; SMN2LMNACNR1 | |
| Hydrochloric Acid SCHEMBL10664159 | 0.95 | DRD2 (0.51) | KCNA5SIGMAR1SMN1; SMN2LMNACNR1 | |
| SCHEMBL10884234 | 0.95 | DRD2 (0.53) | KCNA5SIGMAR1SMN1; SMN2LMNACNR1 | |
| Hydrochloric Acid SCHEMBL10662238 | 0.92 | CACNA1G (0.55) | KCNA5SMN1; SMN2LMNAALOX12CACNA1G | |
| Hydrochloric Acid SCHEMBL10657646 | 0.88 | CACNA1G (0.49) | SIGMAR1SMN1; SMN2CNR1CACNA1GALDH1A1 | |
| SCHEMBL10910575 | 0.87 | CACNA1G (0.50) | SIGMAR1SMN1; SMN2CNR1CACNA1GALDH1A1 | |
| Hydrochloric Acid SCHEMBL10663046 | 0.85 | FAAH (0.52) | KCNA5CACNA1GDRD2ALDH1A1HRH3 | |
| Hydrochloric Acid SCHEMBL10659251 | 0.85 | MAPK1 (0.47) | SIGMAR1SMN1; SMN2LMNACACNA1GHRH3 | |
| SCHEMBL10912688 | 0.85 | FAAH (0.54) | KCNA5SIGMAR1LMNACACNA1GDRD2 | |
| Hydrochloric Acid SCHEMBL10663656 | 0.85 | CACNA1G (0.50) | SMN1; SMN2CNR1CACNA1GALDH1A1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0127182-B1 | 1-PHENYLALKYL-4-(MERCAPTO AND CARBAMYLTHIO)ALKYL-PIPERAZINES AND -HOMOPIPERAZINES AND THEIR USE IN THE TREATMENT OF ALLERGIC DISEASES | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1986-12-30 | — | — | EP | claimed |
| EP-0127182-A1 | 1-Phenylalkyl-4-(mercapto and carbamylthio)alkyl-piperazines and -homopiperazines and their use in the treatment of allergic diseases | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1984-12-05 | — | — | EP | claimed |
| US-4722926-A | Substituted phenylalkyl-(piperazinyl or homopiperazinyl)alkyl thiols and thiocarbamates useful for the treatment of immunological, inflammatory, and allergic disorders | BOEHRINGER INGELHEIM LIMITED (US) | 1988-02-02 | — | — | US | disclosed |
| EP-0127182-B1 | 1-PHENYLALKYL-4-(MERCAPTO AND CARBAMYLTHIO)ALKYL-PIPERAZINES AND -HOMOPIPERAZINES AND THEIR USE IN THE TREATMENT OF ALLERGIC DISEASES | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1986-12-30 | — | — | EP | disclosed |
| US-4618677-A | Substituted phenylalkyl-(piperazinyl or homopiperazinyl)alkyl-thiols and -thiocarbamates useful for the treatment of immunological, inflammatory, and allergic disorders | BOEHRINGER INGELHEIM LIMITED (US) | 1986-10-21 | — | — | US | disclosed |
| EP-0127182-A1 | 1-Phenylalkyl-4-(mercapto and carbamylthio)alkyl-piperazines and -homopiperazines and their use in the treatment of allergic diseases | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1984-12-05 | — | — | EP | disclosed |