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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 9/20 | 0.55 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.49 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.49 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4587598 | 0.99 | SIGMAR1 (0.56) | SIGMAR1DRD2HTR7HTR1APMP22 | |
| Hydrochloric Acid SCHEMBL4588524 | 0.95 | SIGMAR1 (0.47) | SIGMAR1DRD2HTR7KDM4EPPARG | |
| Hydrochloric Acid SCHEMBL4589225 | 0.94 | SIGMAR1 (0.47) | SIGMAR1DRD2HTR7KDM4EPPARG | |
| Hydrochloric Acid SCHEMBL4588328 | 0.94 | SIGMAR1 (0.51) | SIGMAR1HTR7HTR1AKDM4EPPARG | |
| SCHEMBL4589148 | 0.94 | SIGMAR1 (0.48) | SIGMAR1DRD2HTR7KDM4EPPARG | |
| SCHEMBL4587710 | 0.93 | SIGMAR1 (0.52) | SIGMAR1HTR7HTR1AKDM4EPPARG | |
| SCHEMBL4588826 | 0.93 | SIGMAR1 (0.47) | SIGMAR1DRD2HTR7KDM4EPPARG | |
| Hydrochloric Acid SCHEMBL5354134 | 0.91 | SIGMAR1 (0.54) | SIGMAR1DRD2HTR7HTR1AKDM4E | |
| SCHEMBL4587147 | 0.90 | SIGMAR1 (0.55) | SIGMAR1DRD2HTR7HTR1AKDM4E | |
| Hydrochloric Acid SCHEMBL4588541 | 0.89 | SIGMAR1 (0.47) | SIGMAR1DRD2HTR7KDM4EPPARG |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7320982-B2 | Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-β 1 | SANOFI-AVENTIS (FR) | 2008-01-22 | — | — | US | disclosed |
| US-7297799-B2 | Preparation of benzoylalkyl-1,2,3,6-tetrahydropyridines and use thereof | SANOFI-AVENTIS (FR) | 2007-11-20 | — | — | US | disclosed |
| US-20070054931-A1 | PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF | SANOFI-AVENTIS (FR) | 2007-03-08 | — | — | US | disclosed |
| US-7151107-B2 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | SANOFI-AVENTIS (FR) | 2006-12-19 | — | — | US | disclosed |
| US-20050222187-A1 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | SANOFI-AVENTIS (FR) | 2005-10-06 | — | — | US | disclosed |
| US-6936621-B2 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | SANOFI-AVENTIS (FR) | 2005-08-30 | — | — | US | disclosed |
| US-20040157868-A1 | Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 | SANOFI-AVENTIS (FR) | 2004-08-12 | — | — | US | disclosed |
| US-20040122032-A1 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | SANOFI-AVENTIS (FR) | 2004-06-24 | — | — | US | disclosed |
| US-6693118-B2 | E.G., 1-(2-(6,7-METHYLENEDIOXYNAPHTH-2-YL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE AND 1-2-(4-CYCLOHEXENYLPHENYL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6 -TETRAHYDROPYRIDINE; apoptosis inhibition; treatment of graft rejection or of acute or chronic rheumatoid arthritis | SANOFI-SYNTHELABO (FR) | 2004-02-17 | — | — | US | disclosed |
| US-20020091143-A1 | Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 | SANOFI-AVENTIS (FR) | 2002-07-11 | — | — | US | disclosed |
| US-20020058672-A1 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | BARONI MARCO (IT) | 2002-05-16 | — | — | US | disclosed |
| US-6358965-B1 | THERAPY AND/OR PROPHYLAXIS OF DISEASES WHICH INVOLVE NEURONAL DEGENERATION BY ADMINISTERING BENZOYL-1,2,3,6-TETRAHYDROPYRIDINES COMPOUND | SANOFI-SYNTHELABO (FR) | 2002-03-19 | — | — | US | disclosed |
| US-6344464-B1 | Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination | SANOFI-SYNTHELABO (FR) | 2002-02-05 | — | — | US | disclosed |
| US-6342505-B1 | inhibiting apoptosis using xaliproden hydrochloride, or other tetrahydropyridine derivatives | SANOFI-SYNTHELABO (FR) | 2002-01-29 | — | — | US | 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 (6 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-20020058672-A1 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | KCNH1, KCNJ2, CACNA1B | SIGMAR1 481/4885DRD2 554/4885HTR7 434/4885 |
| US-20020091143-A1 | Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 | TGFB1, TGFBR1, TGFB2 | SIGMAR1 1163/4885DRD2 2564/4885HTR7 2062/4885 |
| US-20040122032-A1 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | KCNH1, KCNJ2, CACNA1B | SIGMAR1 481/4885DRD2 554/4885HTR7 434/4885 |
| US-20070054931-A1 | PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF | BDNF, KCNH1, GABRA6 | SIGMAR1 695/4885DRD2 576/4885HTR7 328/4885 |
| US-20050222187-A1 | Use of benzoylalkyl-1,2,3,6-tetrahydropyridines | KCNH1, ATP6V1B2, KCNJ6 | SIGMAR1 491/4885DRD2 446/4885HTR7 282/4885 |
| US-20040157868-A1 | Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 | TGFB1, TGFBR1, TGFB2 | SIGMAR1 1601/4885DRD2 2854/4885HTR7 2293/4885 |
“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.