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 | |
|---|---|---|---|---|
| ▸ | BCHE known ✓ | P06276 | 6/20 | 0.59 |
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.59 |
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 0.58 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.51 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.62 |
| ▸ | CNR2 | P34972 | 7/20 | 0.59 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 5/20 | 0.53 |
| ▸ | XDH | P47989 | 1/20 | 0.53 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651542 | 0.99 | APP (0.63) | APPCNR2BCHEACHEESR1 | |
| SCHEMBL4651826 | 0.89 | ESR1 (0.60) | APPCNR2BCHEACHEESR1 | |
| Hydrochloric Acid SCHEMBL7936198 | 0.87 | ESR1 (0.50) | APPCNR2BCHEACHEESR1 | |
| SCHEMBL4651950 | 0.87 | CNR2 (0.65) | APPCNR2BCHEACHESLC2A1 | |
| SCHEMBL4650719 | 0.86 | ESR1 (0.51) | APPCNR2BCHEACHEESR1 | |
| SCHEMBL14580330 | 0.86 | SLC2A1 (0.73) | APPCNR2BCHEACHEESR1 | |
| SCHEMBL14580350 | 0.86 | SLC2A1 (0.73) | APPCNR2BCHEACHEESR1 | |
| SCHEMBL11726658 | 0.82 | APP (0.82) | APPCNR2BCHEACHESLC2A1 | |
| SCHEMBL11674118 | 0.82 | APP (0.78) | APPCNR2BCHEACHESLC2A1 | |
| SCHEMBL11734682 | 0.82 | APP (0.78) | APPCNR2BCHEACHECNR1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6221838-B1 | Methods of treating neuropeptide Y-associated conditions | ELI LILLY AND COMPANY | 2001-04-24 | — | — | US | disclosed |
| US-6124311-A | ADMINISTERING ONCOLYTIC AGENT WITH ENHANCED MULTIDRUG RESISTANCE REVERSING AMOUNT OF SPECIFIED COMPOUND | ELI LILLY AND COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| US-6121292-A | BY ADMINSTERING A SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE, INDOLE, OR (DIHYDRO)NAPHTHYLENE, OF GIVEN FORMULA SUCH AS (6-(N-BUTYLSULFONOYL)-2-(4(N-BUTYLSULFONYL)PHENYL)BENZO(B)-THIEN-3-YL)(4(2 -(1-PIPERIDINYL)ETHOXY)PHENYL)METHANONE | ELI LILLY AND COMPANY (US) | 2000-09-19 | — | — | US | disclosed |
| US-5972888-A | LOWERING THE PRODUCTION OR RELEASE OF NEUROPEPTIDE Y WHICH COMPRISES ADMINISTERING TO A MAMMAL IN NEED THEREOF AN EFFECTIVE AMOUNT OF AN ISOLATED NATURALLY OCCURRING OBESITY PROTEIN, OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ELI LILLY AND COMPANY (US) | 1999-10-26 | — | — | US | disclosed |
| EP-0895781-A2 | Use of benzofurans, benzothiophenes or indoles for the manufacture of a medicament for the treatment of conditions associated with an excess of tachykinins | ELI LILLY AND COMPANY (US) | 1999-02-10 | — | — | EP | disclosed |
| EP-0735821-A4 | METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES | LILLY CO ELI (US) | 1998-04-01 | — | — | EP | disclosed |
| EP-0820769-A2 | Use of benzothiophenes for the manufacture of a medicament for the treatment of diseases associated with an excess of tachykinis | ELI LILLY AND COMPANY (US) | 1998-01-28 | — | — | EP | disclosed |
| US-5663192-A | PSYCHOLOGICAL DISORDERS USING INDOLE, BENZOTHIOPHENE OR BENZOFURANS WITH AMINO AND ALKOXYBENZOYL GROUPS | ELI LILLY AND COMPANY (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0736007-A4 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0759441-A2 | Methods of treating neuropeptide Y-associated conditions | ELI LILLY AND COMPANY (US) | 1997-02-26 | — | — | EP | disclosed |
| EP-0754464-A2 | Methods of treating neuropeptide Y-associated conditions | ELI LILLY AND COMPANY (US) | 1997-01-22 | — | — | EP | disclosed |
| EP-0736007-A1 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| EP-0735821-A1 | METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES | ELI LILLY AND COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| EP-0716854-A2 | Compositions for inhibiting neuropeptide y receptors | ELI LILLY AND COMPANY (US) | 1996-06-19 | — | — | EP | disclosed |
| WO-1996012489-A1 | BICYCLIC NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-05-02 | — | — | WO | disclosed |
| EP-0709090-A2 | Compositions for treating resistant tumors | ELI LILLY AND COMPANY (US) | 1996-05-01 | — | — | EP | disclosed |
| EP-0707852-A2 | Bicyclic bradykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995017095-A1 | METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES | ELI LILLY AND COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |
| WO-1995017382-A1 | NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |