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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.46 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.46 |
| ▸ | DRD4 known ✓ | P21917 | 2/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9020129 | 0.99 | DRD2 (0.47) | DRD2DRD3DRD4GRM2KDM4E | |
| Hydrochloric Acid SCHEMBL1836699 | 0.79 | DRD2 (0.57) | DRD2DRD3DRD4GRM2KDM4E | |
| SCHEMBL1840347 | 0.78 | DRD2 (0.58) | DRD2DRD3DRD4GRM2KDM4E | |
| Hydrochloric Acid SCHEMBL1178256 | 0.77 | SLC6A2 (0.51) | DRD2DRD3DRD4MAPTHTR1A | |
| Bromide SCHEMBL10365464 | 0.77 | DRD2 (0.57) | DRD2DRD3DRD4GRM2KDM4E | |
| SCHEMBL1177928 | 0.75 | SLC6A2 (0.52) | DRD2DRD3DRD4MAPTHTR1A | |
| SCHEMBL8207212 | 0.75 | HTR2A (0.41) | DRD2DRD3DRD4GRM2KDM4E | |
| Hydrochloric Acid SCHEMBL1838069 | 0.73 | KDM4E (0.51) | DRD2DRD3DRD4GRM2KDM4E | |
| SCHEMBL8206871 | 0.72 | HTR2A (0.43) | DRD2DRD3DRD4MAPTHTR1A | |
| SCHEMBL2204018 | 0.72 | DRD2 (0.46) | DRD2DRD3DRD4GRM2KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984965-A1 | 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS | NEUROSEARCH A/S (DK) | 2000-03-15 | — | — | EP | claimed |
| WO-1998054181-A1 | 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS | NEUROSEARCH A/S (DK) | 1998-12-03 | — | — | WO | claimed |
| EP-0498331-B1 | N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1996-05-22 | — | — | EP | disclosed |
| US-5340936-A | Antipsychotic agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-08-23 | — | — | US | disclosed |
| US-5334599-A | Heteroaryl-8-azabicyclo[3,2,1]octanes as antipsychotic agents, 5-HT3 receptor antagonists and inhibitors of the reuptake of serotonin | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-08-02 | — | — | US | disclosed |
| US-5234931-A | Anxiolytic agents; antdepressants; schizophrenia; drug abuse; medical diagnosis | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-08-10 | — | — | US | disclosed |
| EP-0498331-A1 | N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-08-12 | — | — | EP | disclosed |