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 | |
|---|---|---|---|---|
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.52 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.52 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.50 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.50 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.93 |
| ▸ | HPGD | P15428 | 3/20 | 0.93 |
| ▸ | TSHR | P16473 | 3/20 | 0.93 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.93 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.65 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.63 |
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8641121 | 1.00 | CYP3A4 (0.93) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL48843 | 0.96 | ALDH1A1 (1.00) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL29365003 | 0.96 | ALDH1A1 (1.00) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL27912581 | 0.96 | ALDH1A1 (1.00) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| Fluoride SCHEMBL27639109 | 0.93 | ALDH1A1 (0.93) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| Ammonia Solution, Strong SCHEMBL7197839 | 0.93 | ALDH1A1 (0.93) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL335367 | 0.93 | ALDH1A1 (0.93) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL14876644 | 0.90 | ALDH1A1 (0.87) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL21854609 | 0.90 | ALDH1A1 (0.87) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL16107418 | 0.90 | ALDH1A1 (0.87) | CYP3A4ALDH1A1HPGDTSHRTDP1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536552-A | Method for synthesizing 1, 5-naphthalene diisocyanate by aqueous phase salifying process | 宁夏瑞泰科技股份有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-115249609-A | Ultrasonic spraying device and method for spraying MALDI-TOF MS imaging matrix and application | 中国科学院化学研究所 | 2022-10-28 | — | — | CN | claimed |
| CN-110581052-A | Ultrasonic spraying device and method for preparing MALDI-TOF MS imaging matrix and application | 中国科学院化学研究所 | 2019-12-17 | — | — | CN | claimed |
| CN-115253969-B | Reactor system for preparing isocyanate and method for preparing isocyanate using the same | 宁夏瑞泰科技股份有限公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-115536552-A | Method for synthesizing 1, 5-naphthalene diisocyanate by aqueous phase salifying process | 宁夏瑞泰科技股份有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-115536552-A | Method for synthesizing 1, 5-naphthalene diisocyanate by aqueous phase salifying process | 宁夏瑞泰科技股份有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-112557497-B | Application of hydralazine as matrix in matrix-assisted laser desorption ionization mass spectrometry | 中国药科大学 | 2022-11-11 | — | — | CN | disclosed |
| CN-115253969-A | Reactor system for preparing isocyanate and method for preparing isocyanate by using same | 宁夏瑞泰科技股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-115249609-A | Ultrasonic spraying device and method for spraying MALDI-TOF MS imaging matrix and application | 中国科学院化学研究所 | 2022-10-28 | — | — | CN | disclosed |
| CN-110694589-B | Metal organic framework-silicon-based composite material and preparation method and application thereof | 军事科学院军事医学研究院环境医学与作业医学研究所 | 2022-04-05 | — | — | CN | disclosed |
| CN-110146586-B | MALDI-MS method for detecting small molecule metabolite by 1,1 '-binaphthyl-2, 2' -diamine and application | 山东省分析测试中心 | 2021-12-03 | — | — | CN | disclosed |
| CN-113416141-A | Preparation method of 5-amino-1-naphthol hydrochloride | 沈阳感光化工研究院有限公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-112557497-A | Use of hydralazine as a matrix in matrix-assisted laser desorption ionization mass spectrometry | 中国药科大学 | 2021-03-26 | — | — | CN | disclosed |
| CN-110694589-A | Metal organic framework-silicon-based composite material and preparation method and application thereof | 军事科学院军事医学研究院环境医学与作业医学研究所 | 2020-01-17 | — | — | CN | disclosed |
| CN-110581052-A | Ultrasonic spraying device and method for preparing MALDI-TOF MS imaging matrix and application | 中国科学院化学研究所 | 2019-12-17 | — | — | CN | disclosed |
| CN-110146586-A | The MALDI-MS method and application of 1,1 '--2,2 '-diamines of dinaphthalene detection small molecule metabolites | 山东省分析测试中心 | 2019-08-20 | — | — | CN | disclosed |
| CN-107085033-B | Application of the N- phenylnaphthalene aminated compounds as MALDI matrix | 中国科学院化学研究所 | 2019-07-19 | — | — | CN | disclosed |
| CN-109456479-A | A kind of RuO2Load the synthetic method of poly 1,5-naphthalene diamine nanotube | 上海萃励电子科技有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-109456479-A | A kind of RuO2Load the synthetic method of poly 1,5-naphthalene diamine nanotube | 上海萃励电子科技有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-107085033-A | N phenylnaphthalenes aminated compounds as MALDI matrix application | 中国科学院化学研究所 | 2017-08-22 | — | — | CN | disclosed |