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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.49 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.47 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19908643 | 0.98 | HTR3A (0.53) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1711100 | 0.98 | HTR3A (0.53) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26938733 | 0.98 | HTR3A (0.53) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| Bicarbonate SCHEMBL9512998 | 0.90 | — | — | |
| SCHEMBL14544196 | 0.88 | HTR3A (0.66) | HTR3A | |
| SCHEMBL15508750 | 0.88 | HTR3A (0.66) | HTR3A | |
| SCHEMBL17850376 | 0.85 | SLC18A3 (0.53) | HTR3ACYP2D6 | |
| Hydrochloric Acid SCHEMBL29090976 | 0.81 | ESRRB (0.50) | HTR3ASLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL2884603 | 0.81 | HTR3A (0.79) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL19459131 | 0.81 | HTR3A (0.52) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10160745-B2 | Piperidine and azepine derivatives as prokineticin receptor modulators | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-12-25 | — | — | US | disclosed |
| US-20180009780-A1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | TAKEDA PHARMACEUTICALS CO (JP) | 2018-01-11 | — | — | US | disclosed |
| EP-3030553-B1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | TAKEDA PHARMACEUTICALS CO (JP) | 2018-01-03 | — | — | EP | disclosed |
| US-9790201-B2 | Piperidine and azepine derivatives as prokineticin receptor modulators | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-17 | — | — | US | disclosed |
| US-20160185752-A1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-30 | — | — | US | disclosed |
| EP-3030553-A1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | Takeda Pharmaceutical Company Limited (JP) | 2016-06-15 | — | — | EP | disclosed |
| WO-2015019103-A1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-02-12 | — | — | WO | disclosed |
| EP-2176252-B1 | 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | ORION CORP (FI) | 2014-09-03 | — | — | EP | disclosed |
| US-8809536-B2 | 2,3-dihydrobenzo[1,4] dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases | ORION CORPORATION (FI) | 2014-08-19 | — | — | US | disclosed |
| US-20140179926-A1 | 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | ORION CORPORATION (FI) | 2014-06-26 | — | — | US | disclosed |
| US-8697723-B2 | 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases | ORION CORPORATION (FI) | 2014-04-15 | — | — | US | disclosed |
| US-20130281486-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | ORION CORP (FI) | 2013-10-24 | — | — | US | disclosed |
| US-8492549-B2 | 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous systeme diseases | ORION CORPORATION (FI) | 2013-07-23 | — | — | US | disclosed |
| US-20120035210-A9 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | ORION CORPORATION (FI) | 2012-02-09 | — | — | US | disclosed |
| US-20100216836-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | ORION CORPORATION (FI) | 2010-08-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120035210-A9 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 137/4885SLC6A2 1172/4885SLC6A4 2018/4885 |
| US-20130281486-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 113/4885SLC6A2 973/4885SLC6A4 1880/4885 |
| US-10160745-B2 | Piperidine and azepine derivatives as prokineticin receptor modulators | GIPR, PROKR1, PROKR2 | HTR3A 83/4885SLC6A2 1310/4885SLC6A4 608/4885 |
| US-20140179926-A1 | 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 113/4885SLC6A2 977/4885SLC6A4 1964/4885 |
| US-20160185752-A1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | GIPR, PROKR1, PROKR2 | HTR3A 76/4885SLC6A2 1314/4885SLC6A4 614/4885 |
| US-20180009780-A1 | PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS | GIPR, PROKR1, PROKR2 | HTR3A 83/4885SLC6A2 1310/4885SLC6A4 608/4885 |
| US-20100216836-A1 | 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES | PMP22, NPY2R, ADRA2C | HTR3A 137/4885SLC6A2 1172/4885SLC6A4 2018/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.