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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.42 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.38 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.36 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 SCHEMBL1198703 | 1.00 | TSHR (0.42) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| SCHEMBL395453 | 0.98 | — | — | |
| SCHEMBL15920609 | 0.85 | TSHR (0.39) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| Hydrochloric Acid SCHEMBL9756583 | 0.83 | TSHR (0.47) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| SCHEMBL12656416 | 0.81 | HPGDS (0.42) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| SCHEMBL4356474 | 0.80 | TSHR (0.49) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| Morpholine SCHEMBL27781621 | 0.79 | HTR2C (0.36) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| Hydrochloric Acid SCHEMBL11591675 | 0.79 | L3MBTL1 (0.46) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| Hydrochloric Acid SCHEMBL29018520 | 0.79 | L3MBTL1 (0.46) | TSHRSMN1; SMN2GAALMNAMEN1 | |
| SCHEMBL20749289 | 0.78 | TSHR (0.55) | TSHRSMN1; SMN2GAALMNAMEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106536508-B | For treat Alzheimer disease have the active compound of cholinergic muscarinic M1 receptor positive allosteric regulator | 武田药品工业株式会社 | 2019-08-09 | — | — | CN | disclosed |
| CN-110062761-A | Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and their use as GLUN2B receptor modulators | 詹森药业有限公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-109608449-A | Compound as type III receptor tyrosine kinase inhibitors | 阵列生物制药公司 | 2019-04-12 | — | — | CN | disclosed |
| CN-109476658-A | Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof | 拜耳公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-105924437-B | Compound as type III receptor tyrosine kinase inhibitors | 阵列生物制药公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-105873927-B | 4-azaindole derivatives | 卫材R&D管理有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-106536508-A | ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE | 武田药品工业株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-106232597-A | Tropomyosin-related kinase (TRK) inhibitors | 建新公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-105924437-A | Compounds As Type III Receptor Tyrosine Kinase Inhibitors | 阵列生物制药公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-105873927-A | 4-azaindole derivatives | 卫材R&D管理有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103459369-B | Guanidine compound | ASTELLAS PHARMA INC | 2015-05-27 | — | — | CN | disclosed |