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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 20/20 | 0.79 |
| ▸ | ITGA4 | P13612 | 20/20 | 0.79 |
| ▸ | ITGB7 | P26010 | 20/20 | 0.79 |
| ▸ | ITGAV | P06756 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL2926949 | 0.99 | ITGB1 (0.80) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL13671316 | 0.99 | ITGB1 (0.80) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2957798 | 0.98 | ITGB1 (0.78) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2951232 | 0.93 | ITGB1 (0.88) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2962382 | 0.92 | ITGB1 (0.80) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2951581 | 0.92 | ITGB1 (0.88) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2947564 | 0.92 | ITGB1 (0.86) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL4200426 | 0.91 | ITGB1 (0.68) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2947742 | 0.91 | ITGB1 (0.85) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL2957040 | 0.91 | ITGB1 (0.78) | ITGB1ITGA4ITGB7ITGAV |
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-8269009-B2 | Methods and compositions for treating liquid tumors | ELAN PHARMACEUTICALS, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| EP-2231185-A1 | METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS | Elan Pharmaceuticals Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| US-20090312353-A1 | Methods and compositions for treating liquid tumors | ELAN PHARMACEUTICALS, INC. | 2009-12-17 | — | — | US | disclosed |
| US-7605166-B2 | Synergistic mixture of methotrexate and integrin antigen or antibody | ELAN PHARMACEUTICALS INC. (US) | 2009-10-20 | — | — | US | disclosed |
| WO-2009075806-A1 | METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS | ELAN PHARMACEUTICALS, INC. (US) | 2009-06-18 | — | — | WO | disclosed |
| EP-1507775-B1 | HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA4 INTEGRINS | ELAN PHARM INC (US) | 2008-12-31 | — | — | EP | disclosed |
| US-7427628-B2 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by α4 integrins | ELAN PHARMACEUTICALS, INC. (US) | 2008-09-23 | — | — | US | disclosed |
| US-20070027131-A1 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by alpha-4 integrins | ELAN PHARMACEUTICALS, INC. | 2007-02-01 | — | — | US | disclosed |
| US-7135477-B2 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by α4 integrins | ELAN PHARMACEUTICALS, INC. (US) | 2006-11-14 | — | — | US | disclosed |
| EP-1507775-A4 | HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA4 INTEGRINS | ELAN PHARM INC (US) | 2006-05-24 | — | — | EP | disclosed |
| US-7026328-B2 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by α4 integrins | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-11 | — | — | US | disclosed |
| US-20060004019-A1 | Steroid sparing agents and methods of using same | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2006-01-05 | — | — | US | disclosed |
| US-20050119290-A1 | N-(2-[N',N'-diethylamino]-5-[N''-(4-fluorophenylsulfonyl)-N''-propargylamino]pyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine; antiinflammatory, antiarthritic agents | ELAN PHARMACEUTICALS, INC. | 2005-06-02 | — | — | US | disclosed |
| US-20050065192-A1 | Methods and compositions for treating rheumatoid arthritis | ELAN PHARMACEUTICALS, INC. (US) | 2005-03-24 | — | — | US | disclosed |
| EP-1507775-A1 | HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA4 INTEGRINS | Elan Pharmaceuticals, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| US-20040138243-A1 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by alpha4integrins | WYETH | 2004-07-15 | — | — | US | disclosed |
| WO-2003099809-A1 | HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY α4 INTEGRINS | ELAN PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | 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 (6 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-20070027131-A1 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by alpha-4 integrins | VCAM1, ITGB4, ICAM1 | ITGB1 9/4885ITGA4 4/4885ITGB7 55/4885 |
| US-20090312353-A1 | Methods and compositions for treating liquid tumors | ITGB4, ITGA4, ITGB3 | ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885 |
| US-20060004019-A1 | Steroid sparing agents and methods of using same | IL5, FCER2, CD40 | ITGB1 305/4885ITGA4 298/4885ITGB7 485/4885 |
| US-20050065192-A1 | Methods and compositions for treating rheumatoid arthritis | VCAM1, ICAM1, ITGA4 | ITGB1 8/4885ITGA4 3/4885ITGB7 38/4885 |
| US-20050119290-A1 | N-(2-[N',N'-diethylamino]-5-[N''-(4-fluorophenylsulfonyl)-N''-propargylamino]pyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine; antiinflammatory, antiarthritic agents | VCAM1, ICAM1, ITGB4 | ITGB1 28/4885ITGA4 5/4885ITGB7 137/4885 |
| US-20040138243-A1 | Heterocyclic compounds which inhibit leukocyte adhesion mediated by alpha4integrins | VCAM1, ICAM1, ITGB4 | ITGB1 15/4885ITGA4 4/4885ITGB7 49/4885 |
“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.