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.
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 | |
|---|---|---|---|---|
| SCHEMBL29531700 | 0.97 | — | — | |
| SCHEMBL91470 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL30978373 | 0.95 | — | — | |
| Acetic Acid SCHEMBL28017031 | 0.85 | ALOX15 (0.46) | — | |
| SCHEMBL17275088 | 0.83 | MAPT (0.47) | — | |
| 2-Aminopyridine SCHEMBL28310919 | 0.82 | NOS3 (0.59) | — | |
| Fumaric Acid SCHEMBL30838061 | 0.80 | ALOX15 (0.42) | — | |
| Maleic Acid SCHEMBL27590355 | 0.80 | ALOX15 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL28220105 | 0.79 | SORT1 (0.42) | — | |
| Diaminopyrimidine SCHEMBL793655 | 0.74 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831601-A | A kind of synthetic method of 2 amino methylpyrimidine hydrochloride and its derivative | 河北博伦特药业有限公司 | 2017-06-13 | — | — | CN | claimed |
| CN-104628709-A | Preparation method of avanafil | HEFEI CHUANGXIN MEDICAL TECHNOLOGY CO LTD | 2015-05-20 | — | — | CN | claimed |
| CN-103435599-A | Solid-phase preparation method of avanafil | NANJING UNIVERSITY OF TECHNOLOGY | 2013-12-11 | — | — | CN | claimed |
| CN-109438421-A | A kind of polishing purification method of avanaphil intermediate | 扬州市三药制药有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-106279125-B | Coumarin derivative and its preparation method | 首都医科大学 | 2018-11-30 | — | — | CN | disclosed |
| CN-108658872-A | A kind of preparation method of avanaphil intermediate | 无锡富泽药业有限公司 | 2018-10-16 | — | — | CN | disclosed |
| CN-107446015-A | Coumarin derivative and its production and use | 首都医科大学 | 2017-12-08 | — | — | CN | disclosed |
| CN-106831601-A | A kind of synthetic method of 2 amino methylpyrimidine hydrochloride and its derivative | 河北博伦特药业有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-104151299-B | Compound, crystal-form compound and preparation method thereof | 北京科莱博医药开发有限责任公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-106279125-A | Coumarin derivative and preparation method thereof | 首都医科大学 | 2017-01-04 | — | — | CN | disclosed |
| CN-105924402-A | Preparation method of 2-amido methylpyrimidine hydrochloride | 蚌埠中实化学技术有限公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-103435599-A | Solid-phase preparation method of avanafil | NANJING UNIVERSITY OF TECHNOLOGY | 2013-12-11 | — | — | CN | disclosed |
| CN-101014574-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2007-08-08 | — | — | CN | disclosed |
| CN-1657523-A | Cyclic compounds | TANABE SEIYAKU CO (JP) | 2005-08-24 | — | — | CN | disclosed |
| CN-1440393-A | cyclic compound | TANABE SEIYAKU CO (JP) | 2003-09-03 | — | — | CN | disclosed |
| EP-1252162-A4 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1252162-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-30 | — | — | EP | disclosed |
| US-6472403-B2 | IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH | MERCK & CO., INC. | 2002-10-29 | — | — | US | disclosed |
| US-20020037889-A1 | Alpha V integrin receptor antagonists | MERCK SHARP & DOHME CORP. | 2002-03-28 | — | — | US | disclosed |
| WO-2001053297-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2001-07-26 | — | — | WO | disclosed |