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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 2/20 | 0.72 |
| ▸ | HCRTR1 known ✓ | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 known ✓ | O43614 | 1/20 | 0.43 |
| ▸ | MAPK14 known ✓ | Q16539 | 1/20 | 0.39 |
| ▸ | KCNA3 known ✓ | P22001 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL729580 | 0.98 | PARP1 (0.74) | PARP1RORCHCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL30251654 | 0.88 | PARP1 (0.60) | PARP1RORCHCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL984448 | 0.88 | PARP1 (0.60) | PARP1RORCHCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL7322972 | 0.86 | PARP1 (0.58) | PARP1RORCALDH1A1ALOX15FABP4 | |
| SCHEMBL7471201 | 0.85 | PARP1 (0.57) | PARP1RORCALDH1A1FABP4 | |
| SCHEMBL21804730 | 0.84 | PARP1 (0.70) | PARP1RORCHCRTR1HCRTR2MGLL | |
| Edetic Acid SCHEMBL8352008 | 0.84 | PARP1 (0.56) | PARP1RORCHCRTR1HCRTR2ALOX15 | |
| SCHEMBL1502069 | 0.84 | PARP1 (1.00) | PARP1RORCHCRTR1HCRTR2ALDH1A1 | |
| Oxalic Acid SCHEMBL17978250 | 0.83 | PARP1 (0.90) | PARP1RORCHCRTR1HCRTR2MGLL | |
| SCHEMBL3360298 | 0.82 | PARP1 (0.72) | PARP1RORCHCRTR1HCRTR2ALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0147044-B1 | BENZOFURANCARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | ADRIA LABORATORIES INC. (US) | 1990-04-25 | — | — | EP | claimed |
| EP-0147044-A2 | Benzofurancarboxamides, process for their preparation and pharmaceutical preparations containing them | ADRIA LABORATORIES INC. (US) | 1985-07-03 | — | — | EP | claimed |
| US-5175173-A | Reduced side effects | SUN JUNG HUI (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0507637-A2 | Use of benzobicyclic carboxamides for the manufacture of a medicament for use as analgesic | Erbamont Inc. (US) | 1992-10-07 | — | — | EP | disclosed |
| EP-0493041-A2 | Use of benzobicyclic carboxamides for the treatment of anxiety and migraine | ERBAMONT, INC. (US) | 1992-07-01 | — | — | EP | disclosed |
| US-5126364-A | Antiemetics, antipsychotics | ERBAMONT, INC. (US) | 1992-06-30 | — | — | US | disclosed |
| US-5122528-A | N-(1-azabicyclo(2.2.2)octyl) or N-((8-phenmethyl)-8-azabicyclo (3.2.1)octyl) benzofuryl, chromenyl or 1-benzoxepinyl carboxamides | ERBAMONT, INC. (US) | 1992-06-16 | — | — | US | disclosed |
| US-5114947-A | Benzofuran-7-carboxamides as anxiolytic agents | ERBAMONT INC. (US) | 1992-05-19 | — | — | US | disclosed |
| EP-0234872-B1 | CARBOXAMIDES USEFUL AS ANTIEMETIC OR ANTIPSYCHOTIC AGENTS | Erbamont Inc. (US) | 1991-11-27 | — | — | EP | disclosed |
| EP-0147044-B1 | BENZOFURANCARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | ADRIA LABORATORIES INC. (US) | 1990-04-25 | — | — | EP | disclosed |
| US-4888353-A | Carboxamides useful as antiemetic or antipsychotic agents | ERBAMONT, INC. (US) | 1989-12-19 | — | — | US | disclosed |
| EP-0234872-A1 | Carboxamides useful as antiemetic or antipsychotic agents | Erbamont Inc. (US) | 1987-09-02 | — | — | EP | disclosed |
| EP-0147044-A2 | Benzofurancarboxamides, process for their preparation and pharmaceutical preparations containing them | ADRIA LABORATORIES INC. (US) | 1985-07-03 | — | — | EP | disclosed |