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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.33 |
| ▸ | GRM6 | O15303 | 2/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27566036 | 0.98 | CYP1A2 (0.37) | CYP1A2POLBGRM2GRM6GRM3 | |
| SCHEMBL27545369 | 0.86 | CYP1A2 (0.39) | CYP1A2POLBGRM2GRM6GRM3 | |
| SCHEMBL28255252 | 0.76 | — | — | |
| SCHEMBL27545570 | 0.74 | CYP1A2 (0.36) | CYP1A2POLBGRM2GRM5GRM1 | |
| Hydrochloric Acid SCHEMBL27468264 | 0.74 | CYP1A2 (0.40) | CYP1A2POLBGRM2GRM5GRM1 | |
| SCHEMBL27545389 | 0.73 | CYP1A2 (0.35) | CYP1A2POLBGRM2GRM5GRM1 | |
| SCHEMBL27623743 | 0.72 | CYP1A2 (0.41) | CYP1A2POLBGRM2GRM6GRM3 | |
| Hydrochloric Acid SCHEMBL27548751 | 0.71 | CYP1A2 (0.45) | CYP1A2POLB | |
| Hydrochloric Acid SCHEMBL27555540 | 0.71 | CYP1A2 (0.38) | CYP1A2POLB | |
| Hydrochloric Acid SCHEMBL27468730 | 0.69 | CYP1A2 (0.42) | CYP1A2POLBGRM2GRM3GRM5 |
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-100367946-C | Gabapentin analogs for the treatment of fibromyalgia and other disorders | WARNER LAMBERT CO (US) | 2008-02-13 | — | — | CN | disclosed |
| CN-1303059-C | Cyclic amino acids and derivatives thereof useful as pharmaceutical agents | WARNER LAMBERT CO (US) | 2007-03-07 | — | — | CN | disclosed |
| CN-1720038-A | Gabapentin analogs for the treatment of fibromyalgia and other disorders | WARNER LAMBERT CO (US) | 2006-01-11 | — | — | CN | disclosed |
| CN-1626069-A | Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of diabetic retinopathy | WARNER LAMBERT CO (US) | 2005-06-15 | — | — | CN | disclosed |
| CN-1170811-C | Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy | ��ʲ | 2004-10-13 | — | — | CN | disclosed |
| CN-1500773-A | Cyclic amino acids and derivatives thereof useful as pharmaceutical agents | ��ʲ | 2004-06-02 | — | — | CN | disclosed |
| CN-1138755-C | Cyclic amino acids and derivatives thereof as pharmaceuticals | ��ʲ | 2004-02-18 | — | — | CN | disclosed |
| CN-1344245-A | Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy | WARNER LAMBER CO (US) | 2002-04-10 | — | — | CN | disclosed |
| CN-1276784-A | Cyclic amino acids and their organisms as medicaments | WARNER LAMBERT CO (US) | 2000-12-13 | — | — | CN | disclosed |