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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 3/20 | 0.41 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.41 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4486187 | 1.00 | CYP2D6 (0.44) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| Hydrochloric Acid SCHEMBL4175172 | 1.00 | CYP2D6 (0.44) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2510406 | 0.98 | CES2 (0.45) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3143623 | 0.98 | CES2 (0.45) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2486728 | 0.98 | CES2 (0.45) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| Acetic Acid SCHEMBL4478409 | 0.93 | TACR1 (0.43) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| Acetic Acid SCHEMBL4478690 | 0.93 | TACR1 (0.43) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| Trifluoroacetic Acid SCHEMBL5163095 | 0.91 | TACR1 (0.42) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| Trifluoroacetic Acid SCHEMBL5395810 | 0.91 | TACR1 (0.42) | CYP2D6PSEN1PSEN2APH1BNCSTN | |
| Sulfuric Acid SCHEMBL3142700 | 0.91 | CYP2D6 (0.41) | CYP2D6PSEN1PSEN2APH1BNCSTN |
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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482365-B2 | 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor | GLAXO GROUP LIMITED (GB) | 2009-01-27 | — | — | US | claimed |
| EP-1666465-B1 | Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor | GLAXO GROUP LTD (GB) | 2008-05-07 | — | — | EP | claimed |
| US-7294630-B2 | Piperazinyl piperidine tachykinin antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-11-13 | — | — | US | claimed |
| US-20060287325-A1 | Combinations of paroxetine and 2-(r)-(4-fluoro-2-methyl-phenyl)-4-(s)-((8as)-6-oxo-hexahydro-pyrrolo'1,2-a!-pyrazin-2-yl)-piperidine-1-carboxylicacid'1-(r)-(3,5-bis-trifluoromethyl-phenyl)- | GLAXO GROUP LIMITED | 2006-12-21 | — | — | US | claimed |
| US-20060142302-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2006-06-29 | — | — | US | claimed |
| EP-1666465-A1 | Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor | GLAXO GROUP LIMITED (GB) | 2006-06-07 | — | — | EP | claimed |
| US-20050171153-A1 | Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases | GLAXO GROUP LIMITED (GB) | 2005-08-04 | — | — | US | claimed |
| EP-1472222-A1 | PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES | GLAXO GROUP LIMITED (GB) | 2004-11-03 | — | — | EP | claimed |
| EP-1218359-B1 | PIPERAZINE COMPOUNDS AS TACHYKININS ANTAGONISTS | GLAXO GROUP LTD (GB) | 2004-07-07 | — | — | EP | claimed |
| WO-2003066589-A1 | PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES | GLAXO GROUP LIMITED (GB) | 2003-08-14 | — | — | WO | claimed |
| US-20180021327-A1 | TREATMENT OF CORNEAL NEOVASCULARIZATION | IRBM SCIENCE PARK S.P.A. (IT) | 2018-01-25 | — | — | US | disclosed |
| EP-2729147-B1 | NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION | IRBM - SCIENCE PARK S P A (IT) | 2017-09-06 | — | — | EP | disclosed |
| EP-2729147-A1 | NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION | Ferrari, Giulio (IT) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013004766-A1 | NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION | FERRARI GIULIO (IT) | 2013-01-10 | — | — | WO | disclosed |
| US-20100317666-A1 | Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss | GLAXO GROUP LIMITED | 2010-12-16 | — | — | US | disclosed |
| US-20040014770-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2004-01-22 | — | — | US | disclosed |
| US-6642240-B2 | Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example | SMITHKLINE BEECHAM CORPORATION | 2003-11-04 | — | — | US | disclosed |
| EP-1326832-A1 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2003-07-16 | — | — | EP | disclosed |
| US-20030028021-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2003-02-06 | — | — | US | disclosed |
| WO-2002032867-A1 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2002-04-25 | — | — | WO | 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 (6 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-20050171153-A1 | Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases | NPSR1, NPY1R, NPY2R | TACR1 8/4885KCNH2 137/4885GAA 2981/4885 |
| US-20030028021-A1 | Chemical compounds | TACR1, TACR2, TAC3 | TACR1 1/4885KCNH2 48/4885GAA 3286/4885 |
| US-20040014770-A1 | Chemical compounds | HCK, KCNK4, GRK4 | TACR1 188/4885KCNH2 94/4885GAA 4205/4885 |
| US-20060142302-A1 | Chemical compounds | TACR2, TAC3, MC2R | TACR1 5/4885KCNH2 94/4885GAA 4599/4885 |
| US-20100317666-A1 | Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss | HTR1A, TPH1, HTR5A | TACR1 7/4885KCNH2 131/4885GAA 2874/4885 |
| US-20180021327-A1 | TREATMENT OF CORNEAL NEOVASCULARIZATION | KDR, BAK1, FLT1 | TACR1 119/4885KCNH2 72/4885GAA 400/4885 |
“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.