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 | |
|---|---|---|---|---|
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.34 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.31 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.31 |
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
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 SCHEMBL28108450 | 0.98 | PDE3B (0.33) | PDE3BPDE3AKDM4EMAPTGMNN | |
| SCHEMBL2439123 | 0.98 | — | — | |
| SCHEMBL31001732 | 0.98 | — | — | |
| Benzene SCHEMBL28857433 | 0.95 | PDE3B (0.34) | PDE3BPDE3AKDM4EMAPTGMNN | |
| Hydrochloric Acid SCHEMBL28102530 | 0.83 | PDE3B (0.33) | PDE3BPDE3A | |
| Tert-Butyl Formate SCHEMBL28081848 | 0.78 | TDP1 (0.39) | TDP1 | |
| SCHEMBL4769982 | 0.76 | CYP19A1 (0.33) | PDE3BPDE3AKDM4EMAPTGMNN | |
| SCHEMBL1020681 | 0.71 | TDP2 (0.41) | PDE3BPDE3AKDM4ETDP1ALDH1A1 | |
| SCHEMBL2501190 | 0.70 | PDE3B (0.33) | PDE3BPDE3A | |
| Hydrochloric Acid SCHEMBL4046012 | 0.67 | PDE3B (0.37) | PDE3BPDE3ATDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478539-A | A kind of method preparing chiral dihydro 1,4- benzimidazole dihydrochloride class compound | 中国科学院大连化学物理研究所 | 2017-03-08 | — | — | CN | claimed |
| CN-106478539-A | A kind of method preparing chiral dihydro 1,4- benzimidazole dihydrochloride class compound | 中国科学院大连化学物理研究所 | 2017-03-08 | — | — | CN | disclosed |
| CN-106478539-A | A kind of method preparing chiral dihydro 1,4- benzimidazole dihydrochloride class compound | 中国科学院大连化学物理研究所 | 2017-03-08 | — | — | CN | disclosed |
| CN-106478539-A | A kind of method preparing chiral dihydro 1,4- benzimidazole dihydrochloride class compound | 中国科学院大连化学物理研究所 | 2017-03-08 | — | — | CN | disclosed |
| CN-106211770-A | As chromene and the 1,1A of gamma secretase modulators, 2,7B tetrahydrochysene cyclopropane also [c] chromene pyrido-pyrazine diketone | 辉瑞公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-103874492-B | Asymmetric ureas and medical uses thereof | 赫尔辛卫生保健公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-104395315-B | 4- (substituted amino) -7H-pyrrolo [ 2,3-d ] pyrimidines as LRRK2 inhibitors | 辉瑞大药厂 | 2016-08-17 | — | — | CN | disclosed |
| CN-105732639-A | Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors | 辉瑞大药厂 | 2016-07-06 | — | — | CN | disclosed |