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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 3/20 | 0.70 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.59 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.58 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.58 |
| ▸ | TRPV4 | Q9HBA0 | 14/20 | 0.71 |
| ▸ | TACR3 | P29371 | 8/20 | 0.71 |
| ▸ | TACR2 | P21452 | 7/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL2373330 | 0.99 | TRPV4 (0.72) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL5443753 | 0.92 | TRPV4 (0.64) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL6428018 | 0.91 | TRPV4 (0.70) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL2372819 | 0.91 | TRPV4 (0.74) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL6855974 | 0.91 | TACR3 (0.70) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL5733751 | 0.90 | TACR3 (0.62) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL5447103 | 0.90 | TRPV4 (0.75) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL5945353 | 0.89 | TRPV4 (0.63) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL5203642 | 0.89 | TRPV4 (0.73) | TRPV4TACR3TACR2OPRM1KCNH2 | |
| SCHEMBL5945439 | 0.89 | TRPV4 (0.60) | TRPV4TACR3TACR2OPRM1KCNH2 |
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-1131294-B1 | QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS | GLAXOSMITHKLINE SPA (IT) | 2006-12-20 | — | — | EP | disclosed |
| US-20060161004-A1 | Novel compounds | GLAXOSMITHKLINE SPA | 2006-07-20 | — | — | US | disclosed |
| US-20050070574-A1 | Novel compounds | GLAXOSMITHKLINE SPA AND LABORATOIRE | 2005-03-31 | — | — | US | disclosed |
| US-6780875-B2 | RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM S.P.A. (IT) | 2004-08-24 | — | — | US | disclosed |
| US-20040102633-A1 | Novel compounds | GLAXOSMITHKLINE S.P.A. (IT) | 2004-05-27 | — | — | US | disclosed |
| US-20030212101-A1 | Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists | SMITHKLINE BEECHAM S.P.A. (IT) | 2003-11-13 | — | — | US | disclosed |
| US-6613770-B1 | Neurokinin antagonists such as 3-(4-Isopropyl-piperazin-yl-methyl)-2-phenyl-quinoline-4-carboxylic acid (1,2-dimethyl-propyl)-amide dihydrochloride, used for prophylaxis of respiratory and gastrointerstinal disorders | SMITHKLINE BEECHAM S.P.A. (IT) | 2003-09-02 | — | — | US | disclosed |
| EP-1131294-A1 | QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | disclosed |
| EP-1131295-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031038-A1 | QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | WO | disclosed |
| WO-2000031037-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | 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 (4 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-20050070574-A1 | Novel compounds | NR1H3, NR1H2, CNR1 | OPRM1 40/4885KCNH2 592/4885CACNA1C 2651/4885 |
| US-20030212101-A1 | Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists | KCNH2, KCNA6, KCNA3 | OPRM1 228/4885KCNH2 1/4885CACNA1C 521/4885 |
| US-20060161004-A1 | Novel compounds | SLC10A1, ABCB11, AQP1 | OPRM1 2549/4885KCNH2 645/4885CACNA1C 2131/4885 |
| US-20040102633-A1 | Novel compounds | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, NR1H3 | OPRM1 16/4885KCNH2 416/4885CACNA1C 2402/4885 |
“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.