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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 11/20 | 0.95 |
| ▸ | GRIK2 | Q13002 | 5/20 | 0.95 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.95 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.95 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.54 |
| ▸ | TET3 | O43151 | 1/20 | 0.54 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.54 |
| ▸ | GRIA4 | P48058 | 4/20 | 0.45 |
| ▸ | GRIK3 | Q13003 | 4/20 | 0.45 |
| ▸ | GRIK5 | Q16478 | 4/20 | 0.45 |
| ▸ | GGT1 | P19440 | 4/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.44 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.42 |
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 SCHEMBL4186334 | 1.00 | GRIK1 (0.95) | GRIK1GRIK2GRM1GRM2TET2 | |
| SCHEMBL1476505 | 0.98 | GRIK1 (1.00) | GRIK1GRIK2GRM1GRM2TET2 | |
| SCHEMBL3981383 | 0.98 | GRIK1 (1.00) | GRIK1GRIK2GRM1GRM2TET2 | |
| SCHEMBL497587 | 0.98 | GRIK1 (1.00) | GRIK1GRIK2GRM1GRM2TET2 | |
| Ammonia Solution, Strong SCHEMBL638403 | 0.95 | GRIK1 (0.95) | GRIK1GRIK2GRM1GRM2TET2 | |
| Lysine SCHEMBL7036667 | 0.81 | GRIK1 (0.69) | GRIK1GRIK2GRM1GRM2TET2 | |
| SCHEMBL1331822 | 0.81 | GRIK1 (0.71) | GRIK1GRIK2GRM1GRM2GRIA4 | |
| SCHEMBL1331820 | 0.81 | GRIK1 (0.71) | GRIK1GRIK2GRM1GRM2GRIA4 | |
| SCHEMBL5797481 | 0.79 | GRIK1 (0.68) | GRIK1GRIK2GRM1GRM2GRIA4 | |
| Itaconate SCHEMBL27997562 | 0.79 | GRIK1 (0.67) | GRIK1GRIK2GRM1GRM2TET2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1535911-A1 | Metabolically inert anti-inflammatory and anti-tumor antifolates | NAIR, Madhavan G. (US) | 2005-06-01 | — | — | EP | disclosed |
| EP-1062209-A4 | METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES | NAIR MADHAVAN G (US) | 2002-02-27 | — | — | EP | disclosed |
| EP-1062209-A1 | METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES | NAIR, Madhavan G. (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999036409-A1 | METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES | NAIR MADHAVAN G (US) | 1999-07-22 | — | — | WO | disclosed |
| US-5912251-A | ENZYME INHIBITORS | CHELSEA THERAPEUTICS, INC. | 1999-06-15 | — | — | US | disclosed |