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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30870498 | 1.00 | — | — | |
| SCHEMBL28557367 | 0.93 | — | — | |
| SCHEMBL30863734 | 0.93 | — | — | |
| Methane SCHEMBL11198559 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27692480 | 0.93 | — | — | |
| Bromide SCHEMBL31196810 | 0.93 | — | — | |
| Ethane SCHEMBL6980869 | 0.90 | — | — | |
| SCHEMBL2326360 | 0.87 | HCAR2 (0.38) | — | |
| SCHEMBL27541628 | 0.80 | HCAR2 (0.39) | — | |
| Acetic Acid SCHEMBL19086689 | 0.80 | HCAR2 (0.50) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| CN-109415355-A | Benzdioxan derivative and its medicinal usage | 奥赖恩公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-103635472-B | Serine/threonine kinase inhibitor | 阵列生物制药公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-104945420-A | Pyrimidinones as PI3K inhibitors | INCYTE CORP | 2015-09-30 | — | — | CN | disclosed |
| CN-102482278-B | Pyrimidinones as PI3K inhibitors | INCYTE CORP | 2015-04-22 | — | — | CN | disclosed |
| CN-103635472-A | Serine/threonine kinase inhibitors | ARRAY BIOPHARMA INC | 2014-03-12 | — | — | CN | disclosed |
| CN-102482278-A | Pyrimidinones as PI3K inhibitors | INCYTE CORP | 2012-05-30 | — | — | CN | disclosed |
| CN-101610761-A | 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor | NOVARTIS AG (CH) | 2009-12-23 | — | — | CN | disclosed |
| CN-100441581-C | 1- [ alkyl ], 1- [ (heteroaryl) alkyl ] and 1- [ (aryl) alkyl ] -7- (pyrimidin-4-yl) -imidazo [1, 2-a ] pyrimidin-5 (1H) -one derivatives | SANOFI SYNTHELABO MITSUBISHI P (FR) | 2008-12-10 | — | — | CN | disclosed |
| CN-100398541-C | Pyrimidone derivatives and 3-ketoesters | SANOFI AVENTIS (FR) | 2008-07-02 | — | — | CN | disclosed |
| CN-100391959-C | Pyrimidin-5- (1H) -one derivatives | SANOFI AVENTIS (FR) | 2008-06-04 | — | — | CN | disclosed |
| CN-1827619-A | Pyrimidin-5- (1H) -one derivatives | SANOFI AVENTIS (FR) | 2006-09-06 | — | — | CN | disclosed |
| CN-1817884-A | Pyrimidone derivatives and 3-ketoesters | SANOFI AVENTIS (FR) | 2006-08-16 | — | — | CN | disclosed |
| CN-1247586-C | Substituted 2-pyrimidinyl-6, 7,8, 9-tetrahydropyrimido [1, 2-A ] pyrimidin-4-one and 7-pyrimidinyl-2, 3-dihydroimidazo [1, 2-A ] pyrimidin-5 (1H) one derivatives for the treatment of neurodegenerative diseases | SANOFI AVENTIS SYNTHELABO (FR) | 2006-03-29 | — | — | CN | disclosed |
| CN-1646533-A | 1- [ alkyl ], 1- [ (heteroaryl) alkyl ] and 1- [ (aryl) alkyl ] -7- (pyrimidin-4-yl) -imidazo [1, 2-a ] pyrimidin-5 (1H) -one derivatives | SANOFI SYNTHELABO MITSUBISHI P (FR) | 2005-07-27 | — | — | CN | disclosed |
| CN-1556810-A | Substituted 2-pyrimidinyl-6, 7,8, 9-tetrahydropyrimido [1, 2-A ] pyrimidin-4-one and 7-pyrimidinyl-2, 3-dihydroimidazo [1, 2-A ] pyrimidin-5 (1H) one derivatives for the treatment of neurodegenerative diseases | ����ɳŵ��-����������˾ | 2004-12-22 | — | — | CN | disclosed |
| CN-1126995-A | Antiallergic imidazoazepines | JANSSEN PHARMACEUTICA NV (BE) | 1996-07-17 | — | — | CN | disclosed |