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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 5/20 | 0.53 |
| ▸ | NOS2 | P35228 | 5/20 | 0.53 |
| ▸ | NOS3 | P29474 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.52 |
| ▸ | PNMT | P11086 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL27646155 | 0.98 | NOS1 (0.52) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL284046 | 0.98 | LOXL2 (0.55) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL29906073 | 0.98 | LOXL2 (0.55) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| Hydrazine SCHEMBL28200147 | 0.87 | TP53 (0.52) | NOS1NOS2NOS3TP53KIF11 | |
| Hydrochloric Acid SCHEMBL6018896 | 0.87 | LOXL2 (0.67) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8195914 | 0.87 | LOXL2 (0.67) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL18822261 | 0.86 | BCL2 (0.53) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL36008 | 0.84 | LOXL2 (0.71) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL10422276 | 0.84 | LOXL2 (0.71) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL166894 | 0.84 | TP53 (0.61) | NOS1NOS2NOS3ALDH1A1SMN1; SMN2 |
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 400 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105503753-B | A kind of allyl amine is for azole antifungal compound and its preparation method and application | 中国人民解放军第二军医大学 | 2018-02-27 | — | — | CN | claimed |
| CN-105669573-B | A kind of isopropylamine is for azole antifungal compound and its preparation method and application | 中国人民解放军第二军医大学 | 2018-02-23 | — | — | CN | claimed |
| CN-106883114-A | A kind of fluorenes class polyfunctionality light trigger and its preparation and application | 常州强力先端电子材料有限公司 | 2017-06-23 | — | — | CN | claimed |
| CN-106699571-A | Preparation method of 2, 5-dichloroaniline | 南京工业大学 | 2017-05-24 | — | — | CN | claimed |
| CN-105985517-A | Preparation method for polylactic acid polyol with low acid value | 深圳光华伟业股份有限公司 | 2016-10-05 | — | — | CN | claimed |
| CN-104447640-B | 3-furyl-2-cyano group-2-acrylamide derivative and preparation method thereof, pharmaceutical composition and purposes | 北京键凯科技有限公司 | 2016-07-13 | — | — | CN | claimed |
| CN-105669572-A | Piperazinyl amine azole antifungal compound, and preparation method and application thereof | 中国人民解放军第二军医大学 | 2016-06-15 | — | — | CN | claimed |
| CN-105669573-A | Isopropyl amino azole antifungal compound, and preparation method and application thereof | 中国人民解放军第二军医大学 | 2016-06-15 | — | — | CN | claimed |
| CN-105524004-A | Propylaminoazole antifungal compounds, and preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-27 | — | — | CN | claimed |
| CN-105503753-A | Allylamine substituted azole antifungal compound and preparation method and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2016-04-20 | — | — | CN | claimed |
| CN-1267590-C | Preparing method for growth factor slow-releasing system for tissue repair | UNIV TSINGHUA (CN) | 2006-08-02 | — | — | CN | claimed |
| CN-1805920-A | Process and intermediates for the preparation of 3-(amino)-3-cyclobutylmethyl-2-hydroxy-propionamide or salts thereof | SCHERING CORP (US) | 2006-07-19 | — | — | CN | claimed |
| CN-1235884-C | Antifungal compound of substitution benzyl triazole alcohols | SECOND MILITARY MEDICINE UNIV (CN) | 2006-01-11 | — | — | CN | claimed |
| CN-1699351-A | Substituted triazolone benzyl amine triazole antifungal compounds and method for preparing same | UNIV PLA 2ND MILITARY MEDICAL (CN) | 2005-11-23 | — | — | CN | claimed |
| CN-1597723-A | Ketone-aldehyde resins, process for preparing them, and their use | DEGUSSA (DE) | 2005-03-23 | — | — | CN | claimed |
| CN-1584143-A | Preparing method for growth factor slow-releasing system for tissue repair | UNIV TSINGHUA (CN) | 2005-02-23 | — | — | CN | claimed |
| CN-1576273-A | Process for Producing Aliprazo | CHONGQING MEDICAL INDUSTRY RES (CN) | 2005-02-09 | — | — | CN | claimed |
| CN-1539830-A | Antifungal compound of substitution benzyl triazole alcohols | 中国人民解放军第二军医大学 | 2004-10-27 | — | — | CN | claimed |
| CN-1125819-C | Trinitrogenazole alcohol antifungal compound and its preparation method | NO 2 MILITARY MEDICAL COLLEGE (CN) | 2003-10-29 | — | — | CN | claimed |
| CN-1292378-A | Trinitrogenazole alcohol antifungal compound and its preparation method | NO 2 MILITARY MEDICAL COLLEGE (CN) | 2001-04-25 | — | — | CN | claimed |