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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 5/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | MAPT | P10636 | 2/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.71 |
| ▸ | RELA | Q04206 | 1/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.65 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL4189945 | 0.99 | TACR3 (0.74) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL245078 | 0.89 | PLA2G2A (0.81) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL4184333 | 0.88 | TACR3 (0.71) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL29864792 | 0.88 | TACR3 (0.71) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL116026 | 0.88 | KDM4E (0.85) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL28844474 | 0.86 | TACR3 (0.79) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL28844472 | 0.85 | TACR3 (0.77) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL1897330 | 0.84 | KDM4E (0.79) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL5529440 | 0.84 | MAPT (0.64) | TACR3KDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL6451537 | 0.84 | TACR3 (1.00) | TACR3NPC1RAB9APLA2G2ACYP3A4 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482458-B2 | Quinoline derivatives | SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) | 2009-01-27 | — | — | US | disclosed |
| US-20060160846-A1 | Quinoline derivatives | SMITHKLINE BEECHAM FARMAEUTICI S.P.A. | 2006-07-20 | — | — | US | disclosed |
| US-20050096316-A1 | Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders | FARINA CARLO (IT) | 2005-05-05 | — | — | US | disclosed |
| EP-0940391-B1 | Quinoline derivatives as tachykinin NK3 receptor antagonists | GLAXOSMITHKLINE SPA (IT) | 2004-08-18 | — | — | EP | disclosed |
| US-6743804-B2 | A QUINOLINE DERIVATIVES, FOR TREATMENT OF CERTAIN CONDITIONS BY OVERSTIMULATION OF THE THACHYKININ RECEPTORS, DISORDERS OF CENTRAL NERVOUS SYSTEM, SCHIZOPHRENIA; NEURODEGENERATIVE DISORDERS ALZHEIMER DISEASE AND DOWN'S SYNDROME | SMITHKLINE BEECHAM S P.A. (IT) | 2004-06-01 | — | — | US | disclosed |
| US-20030236281-A1 | Quinoline derivatives(2) | FARINA CARLO (IT) | 2003-12-25 | — | — | US | disclosed |
| US-20030195204-A1 | Quinoline derivatives as NK3 antagonists | SMITHKLINE BEECHAM S.P.A. | 2003-10-16 | — | — | US | disclosed |
| US-6608083-B1 | Treatment and/or prophylaxis of convulsive disorders, renal disorders, urinary incontinence, ocular inflammation, eating disorders, inflammatory pain, allergic rhinitis, psoriasis,neurodegenerative disorders, Huntington's disease, | SMITHKLINE BEECHAM FARMACEUTICI S.P.A (IT) | 2003-08-19 | — | — | US | disclosed |
| EP-0804419-B1 | QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM FARMA (IT) | 2003-08-06 | — | — | EP | disclosed |
| EP-0874827-B1 | QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS | GLAXOSMITHKLINE SPA (IT) | 2003-05-21 | — | — | EP | disclosed |
| EP-0940391-A2 | Quinoline derivatives as tachykinin NK3 receptor antagonists | Smithkline Beecham Farmaceutici S.p.A. (IT) | 1999-09-08 | — | — | EP | disclosed |
| EP-0874827-A1 | QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS | Smithkline Becham S.P.A. (IT) | 1998-11-04 | — | — | EP | disclosed |
| US-5811553-A | TREATMENT OF NEURODEGENERATIVE DISORDERS, PULMONARY DISORDERS | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1998-09-22 | — | — | US | disclosed |
| EP-0804419-A1 | QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS | SmithKline Beecham Farmaceutici S.p.A. (IT) | 1997-11-05 | — | — | EP | disclosed |
| WO-1997019927-A1 | QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 1997-06-05 | — | — | WO | disclosed |
| WO-1996002509-A1 | QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1996-02-01 | — | — | WO | disclosed |
| WO-1995032948-A1 | QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1995-12-07 | — | — | 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-20030195204-A1 | Quinoline derivatives as NK3 antagonists | KCNK3, KCND3, KCNN3 | TACR3 9/4885KDM4E 1779/4885SMN1; SMN2 4726/4885 |
| US-20060160846-A1 | Quinoline derivatives | CHRNA3, CHRNB3, KCNQ3 | TACR3 51/4885KDM4E 3752/4885SMN1; SMN2 758/4885 |
| US-20030236281-A1 | Quinoline derivatives(2) | KCNQ3, CHRNA3, KCNK3 | TACR3 31/4885KDM4E 3770/4885SMN1; SMN2 560/4885 |
| US-20050096316-A1 | Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders | TACR3, CHRNB3, CHRNA3 | TACR3 1/4885KDM4E 4500/4885SMN1; SMN2 304/4885 |
“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.