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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.37 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
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 SCHEMBL3826318 | 0.98 | CLK1 (0.42) | CLK1DYRK1AMAPK10TNFKDM4E | |
| SCHEMBL276690 | 0.98 | CLK1 (0.44) | CLK1DYRK1AMAPK10TNFKDM4E | |
| Bromide SCHEMBL3826333 | 0.96 | CLK1 (0.43) | CLK1DYRK1AMAPK10TNFKDM4E | |
| Bromide SCHEMBL3826327 | 0.94 | CLK1 (0.42) | CLK1DYRK1AMAPK10TNFKDM4E | |
| SCHEMBL277425 | 0.83 | KDM4E (0.53) | CLK1DYRK1AMAPK10KDM4EMAPKAPK2 | |
| Hydrochloric Acid SCHEMBL27487030 | 0.76 | PLAU (0.54) | KDM4EHTTPLGPLAU | |
| Hydrochloric Acid SCHEMBL28313520 | 0.74 | PLAU (0.52) | KDM4EHTTPLGPLAU | |
| SCHEMBL29569821 | 0.73 | CLK1 (0.54) | CLK1DYRK1AMAPK10TNFKDM4E | |
| SCHEMBL672509 | 0.73 | CLK1 (0.54) | CLK1DYRK1AMAPK10TNFKDM4E | |
| SCHEMBL58112 | 0.73 | PLAU (0.56) | KDM4EPLGPLAU |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786177-B2 | Phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2010-08-31 | — | — | US | disclosed |
| US-7645770-B2 | Phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2010-01-12 | — | — | US | disclosed |
| EP-1999110-B1 | PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES | UCB PHARMA SA (BE) | 2009-09-16 | — | — | EP | disclosed |
| US-20090221828-A1 | Process for Preparing 1-Halo-2,7-Naphthyridinyl Derivatives | UCB PHARMA, S.A. (BE) | 2009-09-03 | — | — | US | disclosed |
| US-20090186914-A1 | Phenylalanine Enamide Derivatives | UCB PHARMA, S.A. (BE) | 2009-07-23 | — | — | US | disclosed |
| US-7531549-B2 | Phenylalanine enamide derivatives | UCB PHARMA, S.A. (BE) | 2009-05-12 | — | — | US | disclosed |
| US-20090105291-A1 | Phenylalanine Enamide Derivatives | RIGEL PHARMACEUTICALS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-7501437-B2 | Phenylalanine enamide derivatives | UCB PHARMA, S.A. (BE) | 2009-03-10 | — | — | US | disclosed |
| EP-1999110-A2 | PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES | UCB Pharma, S.A. (BE) | 2008-12-10 | — | — | EP | disclosed |
| CN-101293867-A | Phenylalanine enamide derivatives possessing a cyclobutene group, for use as integrin inhibitors | CELLTECH R&D LTD (GB) | 2008-10-29 | — | — | CN | disclosed |
| US-6780874-B2 | AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT | CELLTECH R & D LIMITED (GB) | 2004-08-24 | — | — | US | disclosed |
| US-20040073033-A1 | Process for the preparation of phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2004-04-15 | — | — | US | disclosed |
| US-20030229116-A1 | ENAMINE DERIVATIVES | UCB PHARMA S.A. (BE) | 2003-12-11 | — | — | US | disclosed |
| US-6610700-B2 | Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example | CELLTECH R & D LIMITED (GB) | 2003-08-26 | — | — | US | disclosed |
| EP-1332132-A2 | ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES | Celltech R&D Limited (GB) | 2003-08-06 | — | — | EP | disclosed |
| US-6545013-B2 | Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. | CELLTECH R&D LIMITED (GB) | 2003-04-08 | — | — | US | disclosed |
| US-20020169336-A1 | Phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2002-11-14 | — | — | US | disclosed |
| US-20020115684-A1 | 2, 7-naphthyridine derivatives | CELLTECH R&D, LTD. (GB) | 2002-08-22 | — | — | US | disclosed |
| US-20020037909-A1 | Enamine derivatives | UCB PHARMA S.A. (BE) | 2002-03-28 | — | — | US | disclosed |
| WO-2001079173-A2 | ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES | CELLTECH R & D LIMITED (GB) | 2001-10-25 | — | — | 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 (8 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-20020037909-A1 | Enamine derivatives | CCR1, ITGB2, CCR10 | MAOA 2042/4885HSP90AA1 2519/4885CLK1 3181/4885 |
| US-20090105291-A1 | Phenylalanine Enamide Derivatives | PAH, HRH3, PRLHR | MAOA 1363/4885HSP90AA1 3130/4885CLK1 3273/4885 |
| US-20040073033-A1 | Process for the preparation of phenylalanine enamide derivatives | NPY2R, NPY1R, NPR1 | MAOA 123/4885HSP90AA1 3540/4885CLK1 3871/4885 |
| US-20030229116-A1 | ENAMINE DERIVATIVES | ITGB2, CCR1, CCR10 | MAOA 1700/4885HSP90AA1 2702/4885CLK1 3124/4885 |
| US-20020169336-A1 | Phenylalanine enamide derivatives | CCR1, AHR, PAH | MAOA 1140/4885HSP90AA1 3223/4885CLK1 3695/4885 |
| US-20020115684-A1 | 2, 7-naphthyridine derivatives | VCAM1, ICAM1, SELL | MAOA 3943/4885HSP90AA1 1586/4885CLK1 2244/4885 |
| US-20090221828-A1 | Process for Preparing 1-Halo-2,7-Naphthyridinyl Derivatives | NPM1, XPO4, BRD7 | MAOA 1865/4885HSP90AA1 1554/4885CLK1 345/4885 |
| US-20090186914-A1 | Phenylalanine Enamide Derivatives | PAH, HRH3, PRLHR | MAOA 1363/4885HSP90AA1 3130/4885CLK1 3273/4885 |
“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.