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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.65 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.48 |
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31695410 | 0.98 | CA2 (0.67) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL1655317 | 0.98 | CA2 (0.67) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL7137894 | 0.82 | CA2 (0.71) | CA2AKR1B1FLT3TYRDAO | |
| Indene SCHEMBL8423912 | 0.81 | CA2 (0.48) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL329665 | 0.80 | CA2 (0.69) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL9063028 | 0.78 | CA2 (0.67) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL1156380 | 0.78 | CA2 (1.00) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL720789 | 0.78 | CA2 (0.67) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL29926951 | 0.78 | CA2 (1.00) | CA2AKR1B1FLT3TYRDAO | |
| SCHEMBL16985241 | 0.78 | CA2 (0.67) | CA2AKR1B1FLT3TYRDAO |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458952-B | Heterocycle sulfamide derivatives and drug containing the heterocycle sulfamide derivatives | EA制药株式会社 | 2019-09-27 | — | — | CN | disclosed |
| CN-106220618-B | Sulfur derivatives as chemokine receptor modulators | 阿勒根公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109563103-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-108602807-A | Heterocycle sulfamide derivatives and drug containing it | EA制药株式会社 | 2018-09-28 | — | — | CN | disclosed |
| CN-108383828-A | 1 new, 2- as chemokine receptor modulators is bis--sulfamide derivative | 阿勒根公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-105130855-B | Succinylated hydroxy amine derivatives and application thereof | 约翰斯霍普金斯大学 | 2018-05-25 | — | — | CN | disclosed |
| CN-104168958-B | Diaryl sulfonamides useful for the treatment of inflammation and cancer | 坎塞拉有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-104140421-B | Benzo isothiazole compound and the application in antipsychotic drug is prepared | 上海医药工业研究院 | 2017-04-05 | — | — | CN | disclosed |
| CN-106458952-A | Heterocyclic sulfonamide derivative and medicine comprising same | EA制药株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-103339132-B | Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredi | 株式会社麦迪帕克特 | 2017-02-15 | — | — | CN | disclosed |
| CN-106220618-A | SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | 阿勒根公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-105919987-A | N-acyloxysulfonamide And N-hydroxy-n-acylsulfonamide Derivatives And Use Thereof | 约翰斯霍普金斯大学 | 2016-09-07 | — | — | CN | disclosed |
| CN-103380115-B | Sulfur derivatives as chemokine receptor modulators | 阿勒根公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-102753520-B | N-acyloxysulfonamide and N-hydroxy-N-acylsulfonamide derivatives | 约翰斯霍普金斯大学 | 2016-06-08 | — | — | CN | disclosed |
| CN-104168958-A | Diaryl sulfonamides useful for the treatment of inflammation and cancer | KANCERA AB | 2014-11-26 | — | — | CN | disclosed |
| CN-101965186-A | Compositions and methods for inhibiting cytochrome p450 2d6 | SEQUOIA PHARMACEUTICALS INC | 2011-02-02 | — | — | CN | disclosed |
| CN-101674822-A | compositions and methods for inhibiting cytochrome p450 | SEQUOIA PHARMACEUTICALS INC | 2010-03-17 | — | — | CN | disclosed |
| CN-101107000-A | 3,6-bicyclolides | ENANTA PHARM INC (US) | 2008-01-16 | — | — | CN | disclosed |