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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.44 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.40 |
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12301 | 0.95 | MAPT (0.54) | MAPTCYP2A6PTGS1PTGS2PKM | |
| SCHEMBL11320385 | 0.93 | MAPT (0.52) | MAPTCYP2A6PTGS1PTGS2PKM | |
| SCHEMBL3456141 | 0.78 | MAOB (0.49) | MAPTCYP2A6PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL23430404 | 0.71 | CYP2A6 (0.44) | MAPTCYP2A6PTGS1PTGS2PKM | |
| SCHEMBL4381193 | 0.70 | CYP2A6 (0.54) | MAPTCYP2A6PKMHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL15910606 | 0.70 | CYP2A6 (0.52) | MAPTCYP2A6PKMSMN1; SMN2HDAC3 | |
| Hydrochloric Acid SCHEMBL28502920 | 0.70 | CYP2A6 (0.48) | MAPTCYP2A6PKMSMN1; SMN2HDAC3 | |
| SCHEMBL21338369 | 0.70 | TNKS2 (0.44) | MAPTCYP2A6SMN1; SMN2ALDH1A1 | |
| SCHEMBL25772719 | 0.70 | CYP2A6 (0.55) | MAPTCYP2A6PTGS1PTGS2 | |
| SCHEMBL18805431 | 0.70 | CYP2A6 (0.50) | MAPTCYP2A6PTGS1PTGS2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110086860-A1 | COMPOUND | KIMURA TEIJI | 2011-04-14 | — | — | US | disclosed |
| US-7880009-B2 | Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-02-01 | — | — | US | disclosed |
| EP-2261218-A2 | Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles | Eisai R&D Management Co., Ltd. (JP) | 2010-12-15 | — | — | EP | disclosed |
| US-7687640-B2 | Cinnamide compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-7667041-B2 | Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-02-23 | — | — | US | disclosed |
| US-20090281310-A1 | 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome | EISAI R&D MANAGEMENT CO., LTD. | 2009-11-12 | — | — | US | disclosed |
| US-20080070902-A1 | Cinnamide Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2008-03-20 | — | — | US | disclosed |
| EP-1757591-A1 | CINNAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-20060004013-A1 | Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility | EISAI CO., LTD. | 2006-01-05 | — | — | 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 (4 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-20110086860-A1 | COMPOUND | ARRB1, NR3C2, ADRA2C | PTGS1 1042/4885PTGS2 1630/4885HDAC3 88/4885 |
| US-20090281310-A1 | 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome | APP, PSEN1, BACE1 | PTGS1 1308/4885PTGS2 2845/4885HDAC3 2924/4885 |
| US-20080070902-A1 | Cinnamide Compound | C1S, CCR1, CNR1 | PTGS1 1600/4885PTGS2 1988/4885HDAC3 128/4885 |
| US-20060004013-A1 | Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility | PSEN1, APP, BACE1 | PTGS1 637/4885PTGS2 1460/4885HDAC3 2075/4885 |
“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.