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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 2/20 | 0.46 |
| ▸ | ITGB3 known ✓ | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B known ✓ | P08514 | 2/20 | 0.44 |
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 7/20 | 0.41 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7260830 | 0.88 | ACE (0.48) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL7260835 | 0.88 | ACE (0.48) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL6537537 | 0.83 | ITGB3 (0.48) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL2986557 | 0.83 | ITGB3 (0.48) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL7104303 | 0.83 | ITGB3 (0.48) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL2978498 | 0.83 | ITGB3 (0.48) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL7259564 | 0.81 | KLK5 (0.44) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL2990961 | 0.80 | TACR1 (0.40) | ITGB3ITGA2BPTPN1CTSSCTSK | |
| SCHEMBL2990954 | 0.80 | TACR1 (0.40) | ITGB3ITGA2BPTPN1CTSSCTSK | |
| SCHEMBL7264311 | 0.78 | PTPRB (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1332132-B1 | ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES | UCB PHARMA SA (BE) | 2007-10-10 | — | — | EP | 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 |
| 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-20020037909-A1 | Enamine derivatives | UCB PHARMA S.A. (BE) | 2002-03-28 | — | — | 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 (2 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 | ACE 1634/4885ITGB3 12/4885ITGA2B 53/4885 |
| US-20030229116-A1 | ENAMINE DERIVATIVES | ITGB2, CCR1, CCR10 | ACE 1894/4885ITGB3 8/4885ITGA2B 47/4885 |
“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.