Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Xenalipin. 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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.51 |
| ▸ | TACR1 known ✓ | P25103 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | FPR2 | P25090 | 2/20 | 0.48 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | KLRK1 | P26718 | 3/20 | 0.46 |
| ▸ | MICA | Q29983 | 3/20 | 0.46 |
| ▸ | RAET1L | Q5VY80 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ACLY | P53396 | 1/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.46 |
| ▸ | MTTP | P55157 | 1/20 | 0.46 |
| ▸ | APOB | P04114 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Xenalipin SCHEMBL133087 | 0.98 | CYP2C8 (0.58) | CYP2C8KIF11GAABACE1TACR1 | |
| Xenalipin SCHEMBL29881739 | 0.98 | CYP2C8 (0.58) | CYP2C8KIF11GAABACE1TACR1 | |
| Xenalipin SCHEMBL27618270 | 0.89 | CYP2C8 (0.65) | CYP2C8KIF11GAABACE1TACR1 | |
| SCHEMBL23353984 | 0.85 | TACR1 (0.48) | CYP2C8TACR1HNF4ABCAT2LTB4R2 | |
| SCHEMBL29979035 | 0.85 | TACR1 (0.48) | CYP2C8TACR1HNF4ABCAT2LTB4R2 | |
| SCHEMBL18759613 | 0.83 | HNF4A (0.63) | HNF4ABCAT2LTB4R2 | |
| SCHEMBL30292805 | 0.83 | HNF4A (0.63) | HNF4ABCAT2LTB4R2 | |
| SCHEMBL171542 | 0.83 | TRPV1 (0.54) | CYP2C8KIF11GAABACE1TACR1 | |
| SCHEMBL2564888 | 0.83 | BCAT2 (0.65) | CYP2C8KIF11GAABACE1TACR1 | |
| SCHEMBL403609 | 0.83 | GAA (0.51) | CYP2C8KIF11GAABACE1TACR1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. | 2010-06-24 | — | — | US | disclosed |
| US-7625948-B2 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| US-7432392-B2 | Ester derivatives and medical use thereof | JAPAN TOBACCO INC. (JP) | 2008-10-07 | — | — | US | disclosed |
| US-20060205726-A1 | Ester derivatives and medical use thereof | JAPAN TOBACCO INC. (JP) | 2006-09-14 | — | — | US | disclosed |
| EP-1669345-A1 | ESTER DERIVATIVE AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2006-06-14 | — | — | EP | disclosed |
| US-20050075367-A1 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-04-07 | — | — | US | disclosed |
| EP-1479666-A1 | ESTER COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-11-24 | — | — | EP | disclosed |
| EP-0904262-B1 | CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2004-04-21 | — | — | EP | disclosed |
| US-6617325-B1 | Inhibitors of the microsomal triglyceride-transfer protein | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-09-09 | — | — | US | disclosed |
| US-20030162788-A1 | Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-08-28 | — | — | US | disclosed |
| US-20030073836-A1 | Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-04-17 | — | — | US | disclosed |
| US-6472414-B1 | Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-29 | — | — | US | disclosed |
| US-20020032238-A1 | Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-03-14 | — | — | US | disclosed |
| EP-1097129-A1 | N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS | Novartis AG (CH) | 2001-05-09 | — | — | EP | disclosed |
| US-6197798-B1 | INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN | NOVARTIS AG (CH) | 2001-03-06 | — | — | US | disclosed |
| US-6147214-A | Process and intermediates for the preparation of 4'-trifluoromethyl-biphenyl-2-carboxylic acid (1,2,3,4-tetrahydro-isoquinolin-6-yl)-amide | PFIZER INC (US) | 2000-11-14 | — | — | US | disclosed |
| WO-2000005201-A1 | N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2000-02-03 | — | — | WO | disclosed |
| EP-0975598-A1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBOXYLIC ACID (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL)-AMIDE | PFIZER INC. (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998047875-A1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBOXYLIC ACID (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL)-AMIDE | PFIZER INC. (US) | 1998-10-29 | — | — | WO | disclosed |
| US-5760246-A | ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 1998-06-02 | — | — | 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-20060205726-A1 | Ester derivatives and medical use thereof | MTTP, LIPC, CETP | GAA 237/4885TACR1 3486/4885CYP2C8 609/4885 |
| US-20030162788-A1 | Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals | APOB, LIPC, MTPN | GAA 276/4885TACR1 2907/4885CYP2C8 622/4885 |
| US-20050075367-A1 | Ester compound and medicinal use thereof | LIPC, CES1, MTTP | GAA 2055/4885TACR1 503/4885CYP2C8 314/4885 |
| US-20020032238-A1 | Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments | MTTP, CETP, FABP1 | GAA 1365/4885TACR1 2754/4885CYP2C8 231/4885 |
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | LIPC, CES1, MTTP | GAA 1962/4885TACR1 459/4885CYP2C8 270/4885 |
| US-20030073836-A1 | Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions | MTTP, CETP, CES1 | GAA 1651/4885TACR1 2895/4885CYP2C8 123/4885 |
“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.