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 | 0.56 |
| ▸ | ITGA4 | P13612 | 20/20 | 0.56 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.55 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.55 |
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 SCHEMBL5259160 | 1.00 | ITGB1 (0.56) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL4516203 | 0.99 | ITGB1 (0.57) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL4516205 | 0.99 | ITGB1 (0.57) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL7101344 | 0.99 | ITGB1 (0.57) | ITGB1ITGA4ITGA2ITGB7 | |
| Hydrochloric Acid SCHEMBL6639802 | 0.93 | ITGB1 (0.62) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6639808 | 0.92 | ITGB1 (0.63) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL18594974 | 0.91 | ITGB1 (0.57) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL27682875 | 0.90 | ITGB1 (0.49) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL27682876 | 0.90 | ITGB1 (0.49) | ITGB1ITGA4ITGA2ITGB7 | |
| Hydrochloric Acid SCHEMBL15141209 | 0.88 | ITGB1 (0.47) | ITGB1ITGA4ITGA2ITGB7 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2806898-B1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 | HOFFMANN LA ROCHE (CH) | 2018-07-18 | — | — | EP | disclosed |
| US-20180099005-A1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | HOFFMANN-LA ROCHE, INC. | 2018-04-12 | — | — | US | disclosed |
| EP-2806896-B1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | HOFFMANN LA ROCHE (CH) | 2018-01-03 | — | — | EP | disclosed |
| US-9447035-B2 | Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 | HOFFMANN-LA ROCHE INC. (US) | 2016-09-20 | — | — | US | disclosed |
| US-20150306130-A1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | HOFFMANN-LA ROCHE INC. (US) | 2015-10-29 | — | — | US | disclosed |
| US-20150031715-A1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 | HOFFMANN-LA ROCHE INC. | 2015-01-29 | — | — | US | disclosed |
| EP-2806896-A1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | F.HOFFMANN-LA ROCHE AG (CH) | 2014-12-03 | — | — | EP | disclosed |
| EP-2806898-A1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 | F.HOFFMANN-LA ROCHE AG (CH) | 2014-12-03 | — | — | EP | disclosed |
| WO-2013110681-A1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-01 | — | — | WO | disclosed |
| WO-2013110680-A1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-01 | — | — | WO | disclosed |
| US-20130079383-A1 | Lipid Compounds Targeting VLA-4 | ARROWHEAD RESEARCH CORPORATION (US) | 2013-03-28 | — | — | US | disclosed |
| CN-100369888-C | N-alkanoylphenylalanine derivatives | HOFFMANN LA ROCHE (CH) | 2008-02-20 | — | — | CN | disclosed |
| US-20070238763-A1 | Urea derivatives as integrin a4 antagonists | LABORATORIOS ALMIRALL, S.A. | 2007-10-11 | — | — | US | disclosed |
| EP-1383750-B1 | UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS | ALMIRALL LAB (ES) | 2007-09-26 | — | — | EP | disclosed |
| US-7253171-B2 | Urea derivatives as integrin α4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-08-07 | — | — | US | disclosed |
| US-20040142982-A1 | Urea derivatives as integrin alpha 4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2004-07-22 | — | — | US | disclosed |
| EP-1383750-A2 | UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS | Almirall Prodesfarma, S.A. (ES) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002057242-A2 | UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS | ALMIRALL PRODESFARMA, S.A. (ES) | 2002-07-25 | — | — | WO | disclosed |
| CN-1281430-A | N-alkanoylphenylalanine derivatives | HOFFMANN LA ROCHE (CH) | 2001-01-24 | — | — | CN | disclosed |
| CN-1276785-A | N-aroylphenylalanine derivs. | HOFFMANNN LA ROCHE AG F (CH) | 2000-12-13 | — | — | CN | 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-20180099005-A1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | ITGB1, ITGA4, ITGB4 | ITGB1 1/4885ITGA4 2/4885ITGA2 9/4885 |
| US-20150031715-A1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 | ITGAV, ITGA1, ITGA4 | ITGB1 6/4885ITGA4 3/4885ITGA2 4/4885 |
| US-20040142982-A1 | Urea derivatives as integrin alpha 4 antagonists | ITGA4, ITGB4, ITGA1 | ITGB1 4/4885ITGA4 1/4885ITGA2 7/4885 |
| US-20070238763-A1 | Urea derivatives as integrin a4 antagonists | ITGB4, ITGA4, ITGB7 | ITGB1 5/4885ITGA4 2/4885ITGA2 15/4885 |
| US-20150306130-A1 | CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY | ITGB1, ITGA4, ITGA1 | ITGB1 1/4885ITGA4 2/4885ITGA2 8/4885 |
| US-20130079383-A1 | Lipid Compounds Targeting VLA-4 | LPAR4, ASGR1, VCAM1 | ITGB1 20/4885ITGA4 4/4885ITGA2 15/4885 |
“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.