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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.41 |
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B known ✓ | P08514 | 1/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 SCHEMBL6778529 | 1.00 | MGAM (0.41) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL3866402 | 0.98 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL6779221 | 0.98 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL6778348 | 0.98 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27348020 | 0.86 | SOAT1 (0.45) | MGAMGAASIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10896652 | 0.81 | LMNA (0.53) | MGAMGAASIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28574257 | 0.80 | LMNA (0.41) | MGAMGAASIMGAM2LMNA | |
| Hydrochloric Acid SCHEMBL28574643 | 0.80 | LMNA (0.41) | MGAMGAASIMGAM2LMNA | |
| Hydrochloric Acid SCHEMBL28574258 | 0.80 | LMNA (0.41) | MGAMGAASIMGAM2LMNA | |
| SCHEMBL7355051 | 0.78 | GAA (0.43) | MGAMGAASIMGAM2ALDH1A1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |
| US-6384028-B1 | TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-05-07 | — | — | US | disclosed |
| US-6294549-B1 | COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. | MERCK & CO., INC. | 2001-09-25 | — | — | US | disclosed |
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | disclosed |
| US-6214609-B1 | CONTACTING RACEMIC BETA AMINO ACID OR ITS ESTER WITH AN ACYL DONOR AND ENZYME UNDER CONDITIONS OT ACYLATE ONE ENANTIOMER TO ITS N-ACYLATED DERIVATIVE | MONSANTO COMPANY | 2001-04-10 | — | — | US | disclosed |
| US-6028223-A | AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0979303-A1 | METHOD AND APPARATUS FOR PREPARATION OF CHIRAL BETA AMINO ACIDS | G.D. SEARLE & CO. (US) | 2000-02-16 | — | — | EP | disclosed |
| US-5952306-A | INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES | MERCK & CO., INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0880511-A4 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-06-16 | — | — | EP | disclosed |
| EP-0866705-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-03-03 | — | — | EP | disclosed |
| WO-1998050575-A1 | METHOD AND APPARATUS FOR PREPARATION OF CHIRAL BETA AMINO ACIDS | G.D. SEARLE & CO. (US) | 1998-11-12 | — | — | WO | disclosed |
| EP-0866705-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| US-5719162-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5719144-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5665723-A | PIPERAZINE ISOINDOLE DERIVATIVES | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| WO-1997026250-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-07-24 | — | — | WO | disclosed |
| WO-1997014417-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |
| WO-1996029309-A1 | N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-26 | — | — | WO | disclosed |