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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LOX | P28300 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 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 | |
|---|---|---|---|---|
| SCHEMBL195296 | 0.98 | — | — | |
| SCHEMBL2515172 | 0.95 | F2 (0.52) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| Benzene SCHEMBL11320361 | 0.95 | F2 (0.52) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| SCHEMBL27541982 | 0.95 | F2 (0.52) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL27939330 | 0.95 | F2 (0.52) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| Fluoride SCHEMBL27537666 | 0.95 | F2 (0.52) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| SCHEMBL5078549 | 0.95 | F2 (0.52) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| Ethane SCHEMBL27563851 | 0.93 | F2 (0.50) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| Pyridine SCHEMBL28188653 | 0.88 | KDM4E (0.47) | F2PRSS1PRSS2PRSS3CYP2C9 | |
| Butane SCHEMBL6403113 | 0.87 | CYP2D6 (0.48) | F2PRSS1PRSS2PRSS3CYP2C9 |
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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104031021-B | The preparation method of brinzolamide intermediate thiophene sulfonamide | Jinan Chenghuishuangda Chemical Industry Co.,Ltd. (CN) | 2016-05-04 | — | — | CN | claimed |
| CN-110498768-A | Heptan piperazine class compound and its preparation antipsychotic drug in application | SHANGHAI ZHONGZE MEDICINE TECH CO LTD | 2019-11-26 | — | — | CN | disclosed |
| CN-110317137-A | 9,10- anthraquinone analog compound or its pharmaceutically acceptable salt and its medicinal usage | 复旦大学 | 2019-10-11 | — | — | CN | disclosed |
| CN-110305045-A | A kind of amides compound and its purposes in treating cancer | 成都海创药业有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110240533-A | The preparation method of N, N- dimethyl sulfonamide analog derivative | 河南科技大学 | 2019-09-17 | — | — | CN | disclosed |
| CN-110204465-A | Photocatalytic synthesis at high allyl amine compound method | 西北师范大学 | 2019-09-06 | — | — | CN | disclosed |
| CN-110204464-A | A kind of synthetic method of the tertiary sulfamide compound of aryl | 西北师范大学 | 2019-09-06 | — | — | CN | disclosed |
| CN-110179777-A | Medical composition comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-109942583-A | The amino tetrahydro pyran class compound and application thereof that aryl replaces | 广东东阳光药业有限公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-105142627-B | Pharmaceutical compositions comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-1354663-A | Sulfonamide and sulfamide substituted imidazoquinolines | 3M INNOVATIVE PROPERTIES CO (US) | 2002-06-19 | — | — | CN | disclosed |
| CN-1350458-A | Protease inhibitors | SMITHKLINE BEECHAM CORP (US) | 2002-05-22 | — | — | CN | disclosed |
| US-6281198-B1 | TREATING CANCER | ADIR ET COMPAGNIE (FR) | 2001-08-28 | — | — | US | disclosed |
| CN-1295471-A | Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders | GENENTECH INC (US) | 2001-05-16 | — | — | CN | disclosed |
| CN-1291892-A | Substituted oxoazaheterocyclyl factor Xa inhibitors | AWENTIS PHARMACEUTICAL INC (US) | 2001-04-18 | — | — | CN | disclosed |
| CN-1251523-A | Sulfonamide derivatives | LILLY CO ELI (US) | 2000-04-26 | — | — | CN | disclosed |
| CN-1244798-A | Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds | RHONE POULENC RORER PHARMA (US) | 2000-02-16 | — | — | CN | disclosed |
| CN-1238688-A | Thiol sulfonamide metalloprotease inhibitors | MONSANTO CO (US) | 1999-12-15 | — | — | CN | disclosed |
| CN-1215990-A | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 1999-05-05 | — | — | CN | disclosed |
| CN-1176101-A | N -(4 -aryl -thiazol -2 -yl) -sulphonamide derivatives and their use | HOFFMANN LA ROCHE (CH) | 1998-03-18 | — | — | CN | disclosed |