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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.54 |
| ▸ | HSD11B1 known ✓ | P28845 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20198601 | 0.98 | TSHR (0.56) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL20104809 | 0.98 | TSHR (0.56) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL498155 | 0.98 | TSHR (0.56) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3705397 | 0.98 | CYP1A2 (0.50) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL289131 | 0.95 | CYP1A2 (0.52) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL430341 | 0.90 | — | — | |
| Sulfuric Acid SCHEMBL4208350 | 0.89 | CYP1A2 (0.48) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL16666607 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL22342626 | 0.86 | USP2 (0.46) | TSHRCYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL4115624 | 0.85 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107931890-A | A kind of solid state rosin scaling powder for low temperature scolding tin solder | 东莞市千岛金属锡品有限公司 | 2018-04-20 | — | — | CN | claimed |
| CN-106029649-B | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-107931890-A | A kind of solid state rosin scaling powder for low temperature scolding tin solder | 东莞市千岛金属锡品有限公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-106029649-A | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2016-10-12 | — | — | CN | disclosed |
| EP-0968178-B1 | N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6194463-B1 | SUCH AS ALPHA-(ETHYLSULFONYLAMINO)-CYCLOHEXANEACETIC ACID N-(2-(4-HYDROXY-3-METHOXYPHENYL)-ETHYL)-AMIDE; USE SUCH AS FOR CONTROLLING FUNGAL DISEASES IN CROPS | NOVARTIS CROP PROTECTION, INC. | 2001-02-27 | — | — | US | disclosed |
| US-4187374-A | 7-(β-Aminoacylamino)-3-substituted-3-cephem-4-carboxylic acid derivatives and preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-02-05 | — | — | US | disclosed |
| US-4127570-A | BACTERICIDE | BEECHAM GROUP LIMITED (GB) | 1978-11-28 | — | — | US | disclosed |
| US-4094872-A | 7-(β-Aminoacylamino)-3-heterocyclic-thiomethyl-3-cephem-4-carboxylic acid derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1978-06-13 | — | — | US | disclosed |