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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.44 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.42 |
| ▸ | MAPK14 known ✓ | Q16539 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL3739816 | 0.98 | LTA4H (0.53) | LTA4HNPC1RAB9AHPGDCRHBP | |
| Hydrochloric Acid SCHEMBL3736269 | 0.87 | AKR1C3 (0.53) | LTA4HNPC1RAB9AHPGDCRHBP | |
| Hydrochloric Acid SCHEMBL336974 | 0.85 | DGAT1 (0.50) | NPC1RAB9ADGAT1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3736270 | 0.85 | AKR1C3 (0.54) | LTA4HNPC1RAB9AHPGDCRHBP | |
| SCHEMBL437904 | 0.83 | DGAT1 (0.52) | NPC1RAB9ADGAT1SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL17512889 | 0.83 | DGAT1 (0.60) | HPGDDGAT1SMN1; SMN2ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL20766398 | 0.83 | DGAT1 (0.60) | HPGDDGAT1SMN1; SMN2ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL3736474 | 0.82 | DGAT1 (0.49) | RAB9AHPGDDGAT1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13108706 | 0.81 | DGAT1 (0.62) | HPGDDGAT1SMN1; SMN2ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL26633553 | 0.81 | MAOB (0.56) | RAB9APARP10SMN1; SMN2PTGS2SRD5A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622866-B1 | AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS | NOVARTIS AG (CH) | 2012-07-25 | — | — | EP | disclosed |
| US-7825260-B2 | Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators | NOVARTIS AG (CH) | 2010-11-02 | — | — | US | disclosed |
| US-7494996-B2 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | DOW AGROSCIENCES LLC (US) | 2009-02-24 | — | — | US | disclosed |
| EP-1337150-A4 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES | DOW AGROSCIENCES LLC (US) | 2007-09-26 | — | — | EP | disclosed |
| US-20060211656-A1 | Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators | NOVARTIS AG (CH) | 2006-09-21 | — | — | US | disclosed |
| EP-1622866-A1 | AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS | Novartis AG (CH) | 2006-02-08 | — | — | EP | disclosed |
| US-20040242580-A1 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | KELLY MARTHA JEAN (US) | 2004-12-02 | — | — | US | disclosed |
| WO-2004096757-A1 | AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS | NOVARTIS AG (CH) | 2004-11-11 | — | — | WO | disclosed |
| EP-1337150-A2 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES | Dow AgroSciences LLC (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002067675-A2 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES | DOW AGROSCIENCES LLC (US) | 2002-09-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060211656-A1 | Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators | S1PR1, S1PR3, S1PR2 | PTGS2 2715/4885PPARG 1017/4885MAPK14 3766/4885 |
| US-20040242580-A1 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | DDT, CYP4B1, CYP4X1 | PTGS2 4042/4885PPARG 1950/4885MAPK14 4116/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.