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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 4/20 | 0.33 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 11/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | AKT2 | P31751 | 1/20 | 0.30 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2364797 | 0.98 | CYP17A1 (0.46) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Bromide SCHEMBL27657528 | 0.97 | CYP17A1 (0.45) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28958785 | 0.95 | CYP17A1 (0.41) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28664085 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL28532177 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL28205329 | 0.94 | TBXAS1 (0.42) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL9821483 | 0.94 | CYP17A1 (0.42) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL27677519 | 0.92 | CYP17A1 (0.45) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL15657207 | 0.92 | TBXAS1 (0.44) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27918142 | 0.92 | TBXAS1 (0.44) | CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101398399-A | Quartz crystal resonator, preparation and application thereof | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-04-01 | — | — | CN | claimed |
| CN-101386611-A | Method for preparing 5-hydroxymethyl-furfural | DALIAN INST CHEM & PHYSICS (CN) | 2009-03-18 | — | — | CN | claimed |
| CN-111298832-B | Preparation method and application of imidazole phosphorus molybdenum vanadium-based ionic liquid material | 江苏大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-111298832-A | Preparation method and application of imidazole phosphorus molybdenum vanadium-based ionic liquid material | 江苏大学 | 2020-06-19 | — | — | CN | disclosed |
| CN-106673971-A | Method for catalytically depolymerizing lignin by using MTO (Methyltrioxorhenium) under microwave promoted condition | 中国科学院大连化学物理研究所 | 2017-05-17 | — | — | CN | disclosed |
| CN-101456851-B | Method for preparing 5-hydroxymethyl-furfural by microwave promotion | DALIAN CHEMICAL PHYSICS INST | 2012-10-24 | — | — | CN | disclosed |
| CN-101456851-A | Method for preparing 5-hydroxymethyl-furfural by microwave promotion | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-06-17 | — | — | CN | disclosed |
| CN-101398399-A | Quartz crystal resonator, preparation and application thereof | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-04-01 | — | — | CN | disclosed |
| CN-101386611-A | Method for preparing 5-hydroxymethyl-furfural | DALIAN INST CHEM & PHYSICS (CN) | 2009-03-18 | — | — | CN | disclosed |