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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 3/20 | 0.64 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.64 |
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.61 |
| ▸ | HTR6 known ✓ | P50406 | 3/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL14297213 | 0.98 | HTR1D (0.66) | HTR1DADRB2HTR2ATAAR1HTR6 | |
| SCHEMBL18404868 | 0.85 | HTR2A (0.63) | HTR1DADRB2HTR2ATAAR1HTR6 | |
| SCHEMBL3320875 | 0.83 | HTR1D (0.68) | HTR1DADRB2HTR2AHTR6HTR1A | |
| SCHEMBL14664378 | 0.83 | ADRB2 (0.48) | HTR1DADRB2HTR2AHTR6CDK2 | |
| Hydrochloric Acid SCHEMBL7681619 | 0.83 | ADRB2 (0.62) | HTR1DADRB2HTR2AHTR6CDK2 | |
| Hydrochloric Acid SCHEMBL16592500 | 0.83 | ADRB2 (0.62) | HTR1DADRB2HTR2AHTR6TP53 | |
| Hydrochloric Acid SCHEMBL6577815 | 0.82 | ADRB2 (0.52) | HTR1DADRB2HTR2AHTR6TP53 | |
| SCHEMBL14664379 | 0.82 | ADRB2 (0.47) | HTR1DADRB2HTR2AHTR6CDK2 | |
| SCHEMBL5149815 | 0.81 | HTR1D (0.49) | HTR1DADRB2HTR2ATAAR1HTR6 | |
| SCHEMBL379053 | 0.81 | ADRB2 (0.64) | HTR1DADRB2HTR2AHTR6CDK2 |
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-0749313-A4 | METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS | LILLY CO ELI (US) | 2001-10-24 | — | — | EP | disclosed |
| US-5736544-A | ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-04-07 | — | — | US | disclosed |
| US-5705519-A | ADMINISTERING A SUBSTITUTED INDOLE TO A MAMMAL | ELI LILLY AND COMPANY (US) | 1998-01-06 | — | — | US | disclosed |
| US-5688807-A | ANTIDEPRESSANTS, ANXIETY, UROGENITAL DISORDERS, HYPOTENSIVES, CARDIOVASCULAR DISORDERS | ELI LILLY AND COMPANY (US) | 1997-11-18 | — | — | US | disclosed |
| CN-1148340-A | Treatment of 5HTZBMethods of receptor-related disorders | LILLY CO ELI (US) | 1997-04-23 | — | — | CN | disclosed |
| EP-0749313-A1 | METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS | ELI LILLY AND COMPANY (US) | 1996-12-27 | — | — | EP | disclosed |
| US-5538981-A | 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONIST ACTIVITY | ELI LILLY AND COMPANY (US) | 1996-07-23 | — | — | US | disclosed |
| US-5538980-A | CENTRAL NERVOUS SYSTEM | ELI LILLY AND COMPANY (US) | 1996-07-23 | — | — | US | disclosed |
| US-5488053-A | Tetrahydro-pyrido-indole | ELI LILLY AND COMPANY (US) | 1996-01-30 | — | — | US | disclosed |
| WO-1995024200-A1 | METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS | ELI LILLY AND COMPANY (US) | 1995-09-14 | — | — | WO | disclosed |
| WO-1994024132-A1 | TETRAHYDRO-PYRIDO-INDOLE | ELI LILLY AND COMPANY (US) | 1994-10-27 | — | — | WO | disclosed |
| EP-0620223-A2 | Tetrahydro-pyrido-indole | ELI LILLY AND COMPANY (US) | 1994-10-19 | — | — | EP | disclosed |
| US-5300645-A | Condensation of cycloalkyl-, phenyl- or naphthylpyrrole ethylamines with a 2-oxazolidinone to get antiserotonine agent | ELI LILLY AND COMPANY (US) | 1994-04-05 | — | — | US | disclosed |