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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 13/20 | 0.69 |
| ▸ | HTR1B known ✓ | P28222 | 12/20 | 0.69 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.69 |
| ▸ | HTR1F known ✓ | P30939 | 3/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | NOS1 | P29475 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7488515 | 0.97 | HTR1D (0.72) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL7013291 | 0.88 | HTR1D (0.64) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL7485069 | 0.88 | CYP1A2 (0.68) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL9764514 | 0.86 | HTR1D (0.67) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL7482014 | 0.86 | HTR1D (0.83) | HTR1DHTR1BHTR1AHTR1F | |
| SCHEMBL7482687 | 0.83 | NOS1 (0.62) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL7485584 | 0.83 | CYP1A2 (0.62) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| Hydrochloric Acid SCHEMBL9764509 | 0.83 | HTR1D (0.61) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL7482190 | 0.82 | CYP1A2 (0.61) | HTR1DHTR1BHTR1AHTR1FCYP1A2 | |
| SCHEMBL7475958 | 0.82 | HTR1D (0.72) | HTR1DHTR1BHTR1AHTR1FCYP1A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733628-B9 | 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists | LILLY CO ELI (US) | 2002-06-12 | — | — | EP | disclosed |
| US-6380201-B1 | Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists | ELI LILLY AND COMPANY | 2002-04-30 | — | — | US | disclosed |
| EP-0733628-B1 | 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists | LILLY CO ELI (US) | 2000-12-27 | — | — | EP | disclosed |
| US-5962473-A | Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F | ELI LILLY AND COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| US-5962474-A | ANALGESICS; HEADACHES | ELI LILLY AND COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0832650-A2 | Use of serotonin 5-HT1F agonists for the prevention of migraine | ELI LILLY AND COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1998011895-A1 | A METHOD FOR THE PREVENTION OF MIGRAINE | ELI LILLY AND COMPANY (US) | 1998-03-26 | — | — | WO | disclosed |
| EP-0824917-A2 | Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis | ELI LILLY AND COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| US-5708008-A | TREATMENT OF MIGRAINE | ELI LILLY AND COMPANY (US) | 1998-01-13 | — | — | US | disclosed |
| WO-1996029075-A1 | 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |
| EP-0733628-A1 | 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists | ELI LILLY AND COMPANY (US) | 1996-09-25 | — | — | EP | disclosed |