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 | 1/20 | 0.59 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.57 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.54 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.54 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.52 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
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 SCHEMBL4512041 | 1.00 | TSHR (0.61) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1260548 | 0.98 | TSHR (0.63) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8882875 | 0.85 | HTT (0.63) | TSHRMAPTCTNNB1WNT3AMAOB | |
| Hydrochloric Acid SCHEMBL29393777 | 0.85 | TAS1R3 (0.50) | TSHRCYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL8556804 | 0.84 | MEN1 (0.76) | TSHRMAPTCA12CA1CA2 | |
| SCHEMBL6096683 | 0.84 | PRSS1 (0.52) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15756389 | 0.84 | PDE4B (0.57) | TSHRCYP1A2CYP3A4MAPTCTNNB1 | |
| SCHEMBL27804879 | 0.84 | CTNNB1 (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12937549 | 0.84 | CTNNB1 (0.51) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10455919 | 0.83 | CTNNB1 (0.83) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114014766-B | Preparation method of dopamine hydrochloride intermediate 2- (3, 4-dimethoxyphenyl) ethylamine | 南京桦冠生物技术有限公司 | 2022-04-01 | — | — | CN | claimed |
| CN-114014766-A | Preparation method of dopamine hydrochloride intermediate 2- (3, 4-dimethoxyphenyl) ethylamine | 南京桦冠生物技术有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-115819366-B | Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same | 重庆医科大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-116829532-A | Substituted cyclohexane carboxamides, their preparation and their therapeutic use | 赛诺菲 | 2023-09-29 | — | — | CN | disclosed |
| CN-115819366-A | Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same | 重庆医科大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-114014766-B | Preparation method of dopamine hydrochloride intermediate 2- (3, 4-dimethoxyphenyl) ethylamine | 南京桦冠生物技术有限公司 | 2022-04-01 | — | — | CN | disclosed |
| CN-114014766-A | Preparation method of dopamine hydrochloride intermediate 2- (3, 4-dimethoxyphenyl) ethylamine | 南京桦冠生物技术有限公司 | 2022-02-08 | — | — | CN | disclosed |