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 | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 3/20 | 0.42 |
| ▸ | ITGA2B known ✓ | P08514 | 3/20 | 0.42 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 8/20 | 0.44 |
| ▸ | MMP9 | P14780 | 8/20 | 0.44 |
| ▸ | NPR3 | P17342 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
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 SCHEMBL6495647 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTMMP2MMP9NPR3 | |
| SCHEMBL7215705 | 0.99 | ALDH1A1 (0.47) | ALDH1A1MAPTMMP2MMP9NPR3 | |
| SCHEMBL7215717 | 0.99 | ALDH1A1 (0.47) | ALDH1A1MAPTMMP2MMP9NPR3 | |
| Hydrochloric Acid SCHEMBL7315786 | 0.86 | POLB (0.49) | MMP2MMP9SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL7315781 | 0.86 | POLB (0.49) | MMP2MMP9SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL4417958 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPTMMP2MMP9NPR3 | |
| SCHEMBL7397814 | 0.85 | POLB (0.50) | MMP2MMP9SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7315790 | 0.85 | POLB (0.50) | MMP2MMP9SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL4421322 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTMMP2MMP9NPR3 | |
| SCHEMBL4421321 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTMMP2MMP9NPR3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6960594-B2 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | SHIRE BIOCHEM INC. (CA) | 2005-11-01 | — | — | US | disclosed |
| EP-1091952-B1 | THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER | IAF BIOCHEM INT (CA) | 2003-10-29 | — | — | EP | disclosed |
| US-6630488-B1 | Quinolizinones as integrin inhibitors | BIOCHEM PHARMA, INC. (CA) | 2003-10-07 | — | — | US | disclosed |
| US-20020137947-A1 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | BIOCHEM PHARMA INC. | 2002-09-26 | — | — | US | disclosed |
| EP-1187825-A1 | THIOPHENE INTEGRIN INHIBITORS | Shire Biochem Inc. (CA) | 2002-03-20 | — | — | EP | disclosed |
| US-6274620-B1 | 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION | BIOCHEM PHARMA INC. (CA) | 2001-08-14 | — | — | US | disclosed |
| EP-1115724-A1 | QUINOLIZINONES AS INTEGRIN INHIBITORS | Shire Biochem Inc. (CA) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000075129-A1 | THIOPHENE INTEGRIN INHIBITORS | SHIRE BIOCHEM INC. (CA) | 2000-12-14 | — | — | WO | disclosed |
| WO-2000017197-A1 | QUINOLIZINONES AS INTEGRIN INHIBITORS | BIOCHEM PHARMA INC. (US) | 2000-03-30 | — | — | WO | disclosed |
| US-5786373-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-07-28 | — | — | US | disclosed |
| EP-0667773-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0667773-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994008577-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-28 | — | — | 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 (1 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-20020137947-A1 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | ITGB5, ITGB2, ITGA2 | ITGB3 12/4885ITGA2B 10/4885MMP8 143/4885 |
“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.