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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 11/20 | 0.72 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.49 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.49 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5214633 | 0.98 | EPHX1 (0.75) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL5743237 | 0.88 | EPHX1 (0.55) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| SCHEMBL14097633 | 0.86 | EPHX1 (0.57) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| SCHEMBL26553729 | 0.86 | EPHX1 (0.57) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| SCHEMBL14097638 | 0.86 | EPHX1 (0.57) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| Trifluoroacetic Acid SCHEMBL28169254 | 0.86 | EPHX1 (0.58) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL19086886 | 0.85 | EPHX1 (0.91) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| SCHEMBL5142091 | 0.84 | EPHX1 (1.00) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| SCHEMBL28171895 | 0.82 | EPHX1 (0.95) | EPHX1POLBEPHX2GNAI3GNAO1 | |
| SCHEMBL10155582 | 0.82 | EPHX2 (0.56) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 |
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-106748971-B | A kind of 1- methyl -3-(piperidin-4-yl) urea hydrochloride synthetic method | 上海再启生物技术有限公司 | 2019-02-19 | — | — | CN | claimed |
| CN-106748971-A | A kind of 1 methyl 3（The base of piperidines 4）The synthetic method of urea hydrochloride | 上海再启生物技术有限公司 | 2017-05-31 | — | — | CN | claimed |
| CN-114940700-A | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-114349820-A | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-108290926-B | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-108883185-B | Application of kappa opioid receptor agonist in preparation of medicine for treating pruritus caused by farnesol X receptor agonist | 江苏恒瑞医药股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-107098871-B | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-109422798-B | Free alkali crystal form of phenylpropionamide derivative and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2021-07-02 | — | — | CN | disclosed |
| EP-3610874-A1 | PHARMACEUTICAL COMPOSITION CONTAINING MOR AGONIST AND KOR AGONIST, AND USES THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2020-02-19 | — | — | EP | disclosed |
| CN-109982699-A | A kind of medical composition and its use of MOR agonist and KOR agonist | 江苏恒瑞医药股份有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109422798-A | A kind of free alkali crystal form of phenylpropionyl amine derivant and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-106748971-B | A kind of 1- methyl -3-(piperidin-4-yl) urea hydrochloride synthetic method | 上海再启生物技术有限公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-106748971-B | A kind of 1- methyl -3-(piperidin-4-yl) urea hydrochloride synthetic method | 上海再启生物技术有限公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-106748971-B | A kind of 1- methyl -3-(piperidin-4-yl) urea hydrochloride synthetic method | 上海再启生物技术有限公司 | 2019-02-19 | — | — | CN | disclosed |
| CN-108883185-A | Purposes in a kind of drug of itch caused by kappa opioid receptor agonist treats farnesol X receptor stimulating agent in preparation | 江苏恒瑞医药股份有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-108290926-A | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-107098871-A | Phenylpropionyl amine derivant, its preparation method and its in application pharmaceutically | 江苏恒瑞医药股份有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-106748971-A | A kind of 1 methyl 3（The base of piperidines 4）The synthetic method of urea hydrochloride | 上海再启生物技术有限公司 | 2017-05-31 | — | — | CN | disclosed |