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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.39 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.39 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 2/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29797287 | 0.98 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL1052021 | 0.98 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL29277533 | 0.82 | CYP2A6 (0.55) | CYP2A6PLAUF12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL9352434 | 0.81 | CYP2A6 (0.50) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL329993 | 0.81 | CYP2A6 (0.53) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL10401348 | 0.81 | CYP2A6 (0.59) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL169719 | 0.79 | PLAU (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL29482553 | 0.79 | PLAU (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL329994 | 0.79 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL5610261 | 0.79 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113358759-B | Method for detecting related substances in fasudil hydrochloride starting material | 昆药集团股份有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-111909088-B | Method for preparing isoquinoline hydrochloride intermediate and Rho kinase inhibitor by using BTC/Ph3PO chloro-system | 浙江工业大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-113358759-A | Method for detecting related substances in fasudil hydrochloride starting material | 昆药集团股份有限公司 | 2021-09-07 | — | — | CN | disclosed |
| CN-111909088-A | Utilizing BTC/Ph3Method for preparing isoquinoline hydrochloride intermediate and Rho kinase inhibitor by PO chloro system | 浙江工业大学 | 2020-11-10 | — | — | CN | disclosed |
| CN-111153856-A | Preparation method of fasudil hydrochloride impurity with genotoxicity | 湖南增达生物科技有限公司 | 2020-05-15 | — | — | CN | disclosed |
| US-5245034-A | Compound having vessel smooth muscle relaxation activity | Hidaka, Kiroyoshi (JP) | 1993-09-14 | — | — | US | disclosed |
| US-5216150-A | Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor | Hidaka, Hiroyoshi (JP) | 1993-06-01 | — | — | US | disclosed |
| US-5081246-A | Isoquinolino sulfonamino derivatives | Hidaka, Hiroyoshi (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0287696-B1 | ISOQUINOLINE DERIVATIVES | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-01-02 | — | — | EP | disclosed |
| US-4798897-A | (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1989-01-17 | — | — | US | disclosed |
| EP-0287696-A1 | Isoquinoline derivatives | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-10-26 | — | — | EP | disclosed |