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 | |
|---|---|---|---|---|
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.46 |
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.43 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.40 |
| ▸ | HSD11B1 known ✓ | P28845 | 3/20 | 0.36 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 2/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3306839 | 0.98 | TTR (0.47) | TTRADRB2ADRB1TSHRTPMT | |
| SCHEMBL5165740 | 0.84 | ADRB2 (0.41) | ADRB2ADRB1HSD11B1KDRPDK1 | |
| SCHEMBL28644289 | 0.83 | ADRB2 (0.40) | ADRB2ADRB1HSD11B1KDRPDK1 | |
| SCHEMBL5166345 | 0.83 | NPFFR2 (0.44) | ADRB2ADRB1HSD11B1KDRPDK1 | |
| SCHEMBL31749059 | 0.83 | NPFFR2 (0.44) | ADRB2ADRB1HSD11B1KDRPDK1 | |
| Hydrochloric Acid SCHEMBL11627207 | 0.81 | TTR (0.60) | TTRTSHRTPMTPLAUHSD11B1 | |
| Hydrochloric Acid SCHEMBL11632990 | 0.81 | TTR (0.47) | TTRADRB2TPMT | |
| SCHEMBL12433188 | 0.80 | ADRB2 (0.45) | ADRB2ADRB1HSD11B1KDR | |
| SCHEMBL9446664 | 0.80 | ADRB2 (0.39) | ADRB2ADRB1HSD11B1KDRPDK1 | |
| SCHEMBL285092 | 0.79 | TTR (0.62) | TTRTSHRTPMTPLAUHSD11B1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5273972-A | [(2-diakylaminomethyl)-3-quinuclidinyl]-benzamides and benzoates | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-12-28 | — | — | US | disclosed |
| US-5236931-A | Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-08-17 | — | — | US | disclosed |
| US-5206246-A | Anxiolytic agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0306345-B1 | 2-ALKOXY-N-(1-AZABICYCLO(2.2.2)-OCT-3-YL) BENZAMIDES AND THIOBENZAMIDES HAVING AN ANTISCHIZOPHRENIC ACTIVITY | SYNTHELABO (FR) | 1993-04-14 | — | — | EP | disclosed |
| EP-0353372-B1 | Antischizophrenic-S-N-(1-azabicyclo[2.2.2.]oct-3-yl) benzamides and thiobenzamides | SYNTHELABO (FR) | 1993-02-03 | — | — | EP | disclosed |
| EP-0272052-B1 | Anxiolytic-N-(1-Azabicyclo[2.2.2]Oct-3-yl) Benzamides and Thobenzamides | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1992-07-08 | — | — | EP | disclosed |
| US-5084460-A | Psychological disorders, anxiolytic agents and cognition activators | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-01-28 | — | — | US | disclosed |
| US-5025022-A | Method of treating or preventing schizophrenia and/or psychosis using S-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamides and thiobenzamides | A.H. ROBINS COMPANY, INCORPORATED A VA CORPORATION | 1991-06-18 | — | — | US | disclosed |
| US-5017580-A | Memory enhancing-R-N-(1-azabicyclo[2.2.2.]oct-3-yl)benzamides and thiobenzamides | A.H. ROBINS COMPANY, INCORPORATED A VA CORPORATION | 1991-05-21 | — | — | US | disclosed |
| US-4908370-A | Antianxiety agents | A. H. ROBBINS COMPANY, INC. (US) | 1990-03-13 | — | — | US | disclosed |
| EP-0353371-A1 | Memory enhancing-R-N-(1-azabicyclo[2.2.2] oct-3-yl) benzamides and thiobenzamides | SYNTHELABO (FR) | 1990-02-07 | — | — | EP | disclosed |
| EP-0353372-A1 | Antischizophrenic-S-N-(1-azabicyclo[2.2.2.]oct-3-yl) benzamides and thiobenzamides | SYNTHELABO (FR) | 1990-02-07 | — | — | EP | disclosed |
| US-4877794-A | 2-Alkoxy-n-(1-azabicyclo(2.2.2)oct-3-yl) benzamide and thiobenzamide compositions and the use thereof to treat schizophrenia | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-10-31 | — | — | US | disclosed |
| EP-0311724-A1 | Anxiolytic-R-N-(1-azabicyclo[2.2.2]oct-3-yl) benzamides and thiobenzamides | SYNTHELABO (FR) | 1989-04-19 | — | — | EP | disclosed |
| EP-0272052-A1 | Anxiolytic-N-(1-Azabicyclo[2.2.2]Oct-3-yl) Benzamides and Thobenzamides | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1988-06-22 | — | — | EP | disclosed |
| US-4717563-A | 2-alkoxy-N-(1-azabicyclo(2.2.2)oct-3-yl) benzamides and thiobenzamides in a method for alleviating emesis caused by non-platinum anticancer drugs | A. H. ROBINS COMPANY, INC. (US) | 1988-01-05 | — | — | US | disclosed |
| EP-0240180-A1 | 2-alkoxy-N-(1-azabicyclo[2.2.2]-oct-3-yl) benzamides and thiobenzamides in the alleviation of emesis caused by non-platinum anticancer drugs | SYNTHELABO (FR) | 1987-10-07 | — | — | EP | disclosed |
| US-4593034-A | 2-alkoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamides and thiobenzamides | A. H. ROBINS COMPANY, INC. (US) | 1986-06-03 | — | — | US | disclosed |
| EP-0158532-A2 | Use of 4-amino-N-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide for the manufacture of a medicament having anti-emetic activity. | SYNTHELABO (FR) | 1985-10-16 | — | — | EP | disclosed |
| US-4093734-A | ANTIULCER AGENTS, ANTIEMETICS, ANTICONVULSANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1978-06-06 | — | — | US | disclosed |