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 | |
|---|---|---|---|---|
| ▸ | TOP2A known ✓ | P11388 | 1/20 | 0.50 |
| ▸ | TOP2B known ✓ | Q02880 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 7/20 | 0.61 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.61 |
| ▸ | F2 | P00734 | 3/20 | 0.61 |
| ▸ | APEX1 | P27695 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | PLAU | P00749 | 2/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | MASP2 | O00187 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.54 |
| ▸ | C1S | P09871 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | F10 | P00742 | 2/20 | 0.52 |
| ▸ | F12 | P00748 | 1/20 | 0.52 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426560 | 0.97 | LMNA (0.59) | PRSS1PRSS3F2APEX1LMNA | |
| Hydrochloric Acid SCHEMBL30999366 | 0.86 | PRSS1 (0.78) | PRSS1PRSS3F2APEX1LMNA | |
| Hydrochloric Acid SCHEMBL392375 | 0.86 | PRSS1 (0.78) | PRSS1PRSS3F2APEX1LMNA | |
| SCHEMBL537030 | 0.83 | LMNA (0.77) | PRSS1PRSS3F2APEX1LMNA | |
| Hydrochloric Acid SCHEMBL29182280 | 0.78 | PRSS1 (0.67) | PRSS1PRSS3F2APEX1LMNA | |
| Hydrochloric Acid SCHEMBL538862 | 0.76 | PRSS1 (1.00) | PRSS1PRSS3F2APEX1LMNA | |
| Hydrochloric Acid SCHEMBL236095 | 0.76 | PRSS1 (1.00) | PRSS1PRSS3F2APEX1LMNA | |
| Hydrochloric Acid SCHEMBL4279969 | 0.76 | LMNA (0.94) | PRSS1PRSS3F2APEX1LMNA | |
| SCHEMBL394218 | 0.75 | WDR5 (0.80) | PRSS1PRSS3F2APEX1LMNA | |
| SCHEMBL8973288 | 0.75 | WDR5 (0.80) | PRSS1PRSS3F2APEX1LMNA |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | claimed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | claimed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | claimed |
| CN-117736120-A | Beta-fluoroalkyl-beta-amino vinyl ketone compound, and preparation method and application thereof | 南京工业大学 | 2024-03-22 | — | — | CN | disclosed |
| CN-117209508-A | Azaphenothiazine compound and preparation method thereof | 五邑大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-117209438-A | Preparation method of 1,2,4 triazole-3-ketone compound | 五邑大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-115925583-A | Preparation method of beta-fluoroalkyl-beta-aminovinyl ketone compound | 南京工业大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-108264490-B | 1,3, 5-triazine derivative and preparation method and application thereof | 湖北尚赛光电材料有限公司 | 2021-06-01 | — | — | CN | disclosed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | disclosed |
| US-9523031-B2 | Organic electroluminescent device | IDEMITSU KOSAN CO., LTD. (JP) | 2016-12-20 | — | — | US | disclosed |
| US-20070224448-A1 | Organic Electroluminescent Device | IDEMITSU KOSAN CO., LTD. (JP) | 2007-09-27 | — | — | US | disclosed |
| EP-1750487-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2007-02-07 | — | — | EP | disclosed |
| EP-0409634-A2 | Liquid crystal compounds and optically active compounds | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1991-01-23 | — | — | EP | disclosed |