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 2)
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 SCHEMBL5670071 | 1.00 | ITGB1 (0.70) | ITGB1ITGA4 | |
| SCHEMBL2876599 | 0.99 | ITGB1 (0.72) | ITGB1ITGA4 | |
| SCHEMBL5262001 | 0.99 | ITGB1 (0.72) | ITGB1ITGA4 | |
| Chloromethane SCHEMBL5263090 | 0.96 | ITGB1 (0.69) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL28097879 | 0.87 | ITGB1 (0.63) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL5224621 | 0.87 | ITGB1 (0.63) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL5262186 | 0.87 | ITGB1 (0.60) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL5262190 | 0.87 | ITGB1 (0.60) | ITGB1ITGA4 | |
| SCHEMBL27605844 | 0.86 | ITGB1 (0.62) | ITGB1ITGA4 | |
| SCHEMBL5230799 | 0.86 | ITGB1 (0.64) | ITGB1ITGA4 |
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 19 patents. 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 |
| 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-1622867-B1 | N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS | ALMIRALL LAB (ES) | 2007-09-19 | — | — | EP | disclosed |
| US-20070179183-A1 | N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists | ALMIRALL, S.A. (ES) | 2007-08-02 | — | — | US | disclosed |
| EP-1370531-B1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | CELLTECH R&D LTD (GB) | 2007-02-28 | — | — | EP | disclosed |
| US-20070027174-A1 | Phenylalanine Enamide Derivatives | CELLTECH R&D LIMITED | 2007-02-01 | — | — | US | disclosed |
| US-7122556-B2 | Phenylalanine enamide derivatives | CELLTECH R&D LIMITED (GB) | 2006-10-17 | — | — | US | disclosed |
| EP-1622867-A1 | N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS | Almirall Prodesfarma, S.A. (ES) | 2006-02-08 | — | — | EP | disclosed |
| US-6878718-B2 | Phenylalanine enamide derivatives | CELLTECH R&D LIMITED (GB) | 2005-04-12 | — | — | US | disclosed |
| US-6872719-B1 | Phenylalanine enamide derivatives | CELLTECH R & D LIMITED (GB) | 2005-03-29 | — | — | US | disclosed |
| US-20050038084-A1 | Phenylalanine enamide derivatives | CELLTECH R&D LIMITED | 2005-02-17 | — | — | US | disclosed |
| WO-2004099126-A1 | N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS | ALMIRALL PRODESFARMA SA (ES) | 2004-11-18 | — | — | WO | disclosed |
| US-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | CELLTECH R&D LIMITED (GB) | 2003-08-28 | — | — | US | disclosed |
| US-6518283-B1 | To modify integrin function in such a way as to beneficially modulate cell adhesion | CELLTECH R&D LIMITED (GB) | 2003-02-11 | — | — | US | disclosed |
| US-20020169336-A1 | Phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2002-11-14 | — | — | US | 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 (7 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-20070027174-A1 | Phenylalanine Enamide Derivatives | PAH, HRH3, AGTR2 | ITGB1 77/4885ITGA4 462/4885 |
| US-20090105291-A1 | Phenylalanine Enamide Derivatives | PAH, HRH3, PRLHR | ITGB1 100/4885ITGA4 513/4885 |
| US-20070179183-A1 | N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists | ITGA4, ITGB4, ITGA2 | ITGB1 9/4885ITGA4 1/4885 |
| US-20050038084-A1 | Phenylalanine enamide derivatives | PAH, ARRB1, ACVR2B | ITGB1 34/4885ITGA4 316/4885 |
| US-20020169336-A1 | Phenylalanine enamide derivatives | CCR1, AHR, PAH | ITGB1 61/4885ITGA4 443/4885 |
| US-20090186914-A1 | Phenylalanine Enamide Derivatives | PAH, HRH3, PRLHR | ITGB1 100/4885ITGA4 513/4885 |
| US-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | ICAM1, VCAM1, CCR1 | ITGB1 5/4885ITGA4 28/4885 |
“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.