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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 9/20 | 0.44 |
| ▸ | ITGA2B known ✓ | P08514 | 9/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 2/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 SCHEMBL7312863 | 1.00 | ITGB3 (0.44) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| SCHEMBL7312875 | 0.98 | ITGB3 (0.44) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| SCHEMBL7339072 | 0.98 | ITGB3 (0.44) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| Hydrochloric Acid SCHEMBL7436626 | 0.88 | ITGB3 (0.45) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| Hydrochloric Acid SCHEMBL7436619 | 0.88 | ITGB3 (0.45) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| SCHEMBL7417484 | 0.88 | ITGB3 (0.44) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL6935765 | 0.88 | ITGB3 (0.44) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL8741789 | 0.86 | ITGB3 (0.46) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| SCHEMBL8741792 | 0.86 | ITGB3 (0.46) | ITGB3ITGA2BCA1CA2ZDHHC7 | |
| SCHEMBL7262649 | 0.82 | ITGB3 (0.52) | ITGB3ITGA2BITGAVCHRM2SLC6A4 |
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-0698023-B1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0664792-B1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2000-01-05 | — | — | EP | disclosed |
| US-5789421-A | PIPERIDINYL(METHOXY)-2-INDOLECARBONYL-2-PHENYLSULFONYLAMINO BETA-ALANINE AND SALTS FOR INHIBITING AGGREGATION OF BLOOD PLATELETS AS ANTICOAGULANTS | MERCK & CO., INC. (US) | 1998-08-04 | — | — | US | disclosed |
| US-5786373-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-07-28 | — | — | US | disclosed |
| US-5721253-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-02-24 | — | — | US | disclosed |
| EP-0781133-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-12-10 | — | — | EP | disclosed |
| US-5648368-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0781133-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-07-02 | — | — | EP | disclosed |
| EP-0664792-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0667773-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-09-25 | — | — | EP | disclosed |
| US-5525617-A | ANTICOAGULANT | MERCK & CO., INC. (US) | 1996-06-11 | — | — | US | disclosed |
| WO-1996008250-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |
| US-5494921-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-02-27 | — | — | US | disclosed |
| EP-0667773-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0664792-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-08-02 | — | — | EP | disclosed |
| WO-1995017397-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-06-29 | — | — | WO | disclosed |
| US-5416099-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1995-05-16 | — | — | US | disclosed |
| US-5334596-A | Anticoagulants | MERCK & CO., INC. (US) | 1994-08-02 | — | — | US | disclosed |
| WO-1994008962-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-28 | — | — | WO | disclosed |
| WO-1994008577-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-28 | — | — | WO | disclosed |