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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.98 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.72 |
| ▸ | TACR3 | P29371 | 20/20 | 0.98 |
| ▸ | TACR2 | P21452 | 9/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | BLM | P54132 | 1/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
| ▸ | ATM | Q13315 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
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 SCHEMBL4456802 | 1.00 | TACR3 (0.98) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL4996809 | 0.99 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL7528475 | 0.99 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6448703 | 0.89 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6449768 | 0.89 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL6447407 | 0.89 | TACR3 (1.00) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL7690651 | 0.89 | TACR3 (0.81) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL14567389 | 0.87 | TACR3 (0.78) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7691764 | 0.86 | TACR3 (0.82) | TACR3TACR2OPRM1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7691766 | 0.86 | TACR3 (0.82) | TACR3TACR2OPRM1CYP1A2CYP3A4 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517708-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-03-30 | — | — | EP | claimed |
| EP-0940391-B1 | Quinoline derivatives as tachykinin NK3 receptor antagonists | GLAXOSMITHKLINE SPA (IT) | 2004-08-18 | — | — | EP | claimed |
| US-20040006135-A1 | Combination treatment for depression and anxiety | PFIZER INC. | 2004-01-08 | — | — | US | claimed |
| WO-2004000355-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2003-12-31 | — | — | WO | claimed |
| US-20030236281-A1 | Quinoline derivatives(2) | FARINA CARLO (IT) | 2003-12-25 | — | — | US | claimed |
| 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 | claimed |
| EP-0940391-A2 | Quinoline derivatives as tachykinin NK3 receptor antagonists | Smithkline Beecham Farmaceutici S.p.A. (IT) | 1999-09-08 | — | — | EP | claimed |
| 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-1517708-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-03-30 | — | — | EP | 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 |
| EP-1192952-A2 | Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist | Pfizer Products Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| CN-1276211-A | Use of non-peptides NK3-antagonist | SMITHKINE BEECHEM S P A (IT) | 2000-12-13 | — | — | CN | 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 |
| CN-1156451-A | Use as tachykinin NK3Quinoline derivatives of receptor antagonists | SMITHKLINE BEECHAM FARMA (IT) | 1997-08-06 | — | — | CN | disclosed |
| WO-1997019927-A1 | QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 1997-06-05 | — | — | 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-20040006135-A1 | Combination treatment for depression and anxiety | TACR1, NPSR1, HTR3A | OPRM1 81/4885TACR1 1/4885TACR3 86/4885 |
| US-20060160846-A1 | Quinoline derivatives | CHRNA3, CHRNB3, KCNQ3 | OPRM1 541/4885TACR1 82/4885TACR3 51/4885 |
| US-20030236281-A1 | Quinoline derivatives(2) | KCNQ3, CHRNA3, KCNK3 | OPRM1 410/4885TACR1 44/4885TACR3 31/4885 |
| US-20050096316-A1 | Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders | TACR3, CHRNB3, CHRNA3 | OPRM1 502/4885TACR1 24/4885TACR3 1/4885 |
“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.