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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.49 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.49 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.49 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | HSD11B1 known ✓ | P28845 | 11/20 | 0.32 |
| ▸ | JAK2 known ✓ | O60674 | 2/20 | 0.30 |
| ▸ | JAK1 known ✓ | P23458 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | GBA1 | P04062 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22927213 | 0.99 | CYP2D6 (0.50) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL29646114 | 0.99 | CYP2D6 (0.50) | CYP3A4ALOX15TSHRTDP1LMNA | |
| Bromide SCHEMBL28799789 | 0.98 | CYP2D6 (0.49) | CYP3A4ALOX15TSHRTDP1LMNA | |
| Sulfuric Acid SCHEMBL28799818 | 0.93 | CYP2D6 (0.46) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL27048066 | 0.87 | LMNA (0.38) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL22927220 | 0.84 | CYP2D6 (0.47) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL22927219 | 0.84 | CYP2D6 (0.47) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL29646118 | 0.82 | LMNA (0.55) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL29646126 | 0.79 | LMNA (0.43) | CYP3A4ALOX15TSHRTDP1LMNA | |
| SCHEMBL28799791 | 0.78 | JAK3 (0.36) | HSD11B1JAK2JAK1TYK2JAK3 |
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-115108923-A | Trans-amantadine ammonia derivative or salt thereof, and preparation method, composition and application thereof | 成都施贝康生物医药科技有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-114685292-A | Use of trans-adamantanamine derivatives or salts thereof | 成都施贝康生物医药科技有限公司 | 2022-07-01 | — | — | CN | claimed |
| CN-112279774-B | Dibromobenzyl derivative, stereoisomer or salt thereof, preparation method and application | 成都施贝康生物医药科技有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-115108923-A | Trans-amantadine ammonia derivative or salt thereof, and preparation method, composition and application thereof | 成都施贝康生物医药科技有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-115108939-A | Intermediate of trans-4- [ (2-amino-3, 5-dibromo benzyl) amino ] -adamantan-1-ol and preparation method thereof | 成都施贝康生物医药科技有限公司 | 2022-09-27 | — | — | CN | disclosed |
| WO-2022193369-A1 | USE OF TRANS AMANTADINE DERIVATIVE OR SALT THEREOF | 成都施贝康生物医药科技有限公司 | 2022-09-22 | — | — | WO | disclosed |
| WO-2022193368-A1 | TRANS-AMANTADINE DERIVATIVE OR SALT THEREOF, AND PREPARATION METHOD THEREFOR, COMPOSITION THEREOF AND USE THEREOF | 成都施贝康生物医药科技有限公司 | 2022-09-22 | — | — | WO | disclosed |
| CN-114685292-A | Use of trans-adamantanamine derivatives or salts thereof | 成都施贝康生物医药科技有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-112279774-A | Dibromo benzyl derivative, stereoisomer or salt thereof, preparation method and application | 成都施贝康生物医药科技有限公司 | 2021-01-29 | — | — | CN | disclosed |