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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | IDE | P14735 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3704196 | 0.98 | COMT (0.47) | COMTLMNASMN1; SMN2NFE2L2ALDH1A1 | |
| SCHEMBL3698654 | 0.96 | COMT (0.46) | COMTLMNASMN1; SMN2NFE2L2ALDH1A1 | |
| SCHEMBL3698635 | 0.96 | COMT (0.46) | COMTLMNASMN1; SMN2NFE2L2ALDH1A1 | |
| SCHEMBL3713453 | 0.96 | COMT (0.46) | COMTLMNASMN1; SMN2NFE2L2ALDH1A1 | |
| Dimethylformamide SCHEMBL27642635 | 0.85 | NFE2L2 (0.41) | COMTLMNASMN1; SMN2NFE2L2ALDH1A1 | |
| Quinoline SCHEMBL27999776 | 0.85 | ALDH1A1 (0.53) | COMTNFE2L2ALDH1A1CYP1A2HIF1A | |
| SCHEMBL925929 | 0.82 | NFE2L2 (0.46) | LMNASMN1; SMN2NFE2L2ACLY | |
| SCHEMBL31634218 | 0.82 | NFE2L2 (0.46) | LMNASMN1; SMN2NFE2L2ACLY | |
| SCHEMBL349118 | 0.79 | TRPV4 (0.51) | LMNASMN1; SMN2NFE2L2ALDH1A1HSD17B10 | |
| SCHEMBL29435677 | 0.79 | TRPV4 (0.51) | LMNASMN1; SMN2NFE2L2ALDH1A1HSD17B10 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105873913-B | Therapeutics targeting truncated Adenomatous Polyposis Coli (APC) proteins | 得克萨斯系统大学评议会 | 2019-12-03 | — | — | CN | disclosed |
| CN-107033145-B | Benzothiazine and benzothiadiazines compound and preparation and application | 浙江大学 | 2019-11-22 | — | — | CN | disclosed |
| CN-105829305-B | NRF2 regulator | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-107690281-A | Cystic fibrosis transmembrane transduction modulator modulators | 弗特克斯药品有限公司 | 2018-02-13 | — | — | CN | disclosed |
| CN-107033145-A | Benzothiazine and benzothiadiazines compound and preparation and application | 浙江大学 | 2017-08-11 | — | — | CN | disclosed |
| CN-106397418-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBVIE公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-103167867-B | Solid dispersion containing apoptosis-inducing medicament | ABBVIE 公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-106008322-A | BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases | ABBVIE 公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-106008466-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | 艾伯维公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103517905-B | Novel hexahydropyrroloimidazolone compounds | 霍夫曼-拉罗奇有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-102307622-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-105828820-A | Bromodomain inhibitors | 赛尔基因昆蒂赛尔研究公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105829305-A | NRF2 REGULATORS | 葛兰素史密斯克莱知识产权发展有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-103153993-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | ABBVIE INC. (BS) | 2016-06-01 | — | — | CN | disclosed |