Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Efletirizine. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 0.71 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.71 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.71 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.71 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.71 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.71 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.71 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.51 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.51 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.51 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.51 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.51 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.51 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.51 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.51 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.51 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Efletirizine SCHEMBL3874525 | 0.99 | HRH1 (0.71) | HRH1TDP1HRH2HTR2ADRD3 | |
| Efletirizine SCHEMBL18816 | 0.99 | HRH1 (0.72) | HRH1TDP1HRH2HTR2ADRD3 | |
| Efletirizine SCHEMBL1691233 | 0.97 | HRH1 (0.73) | HRH1TDP1HRH2HTR2ADRD3 | |
| Efletirizine SCHEMBL3882700 | 0.97 | HRH1 (0.73) | HRH1TDP1HRH2HTR2ADRD3 | |
| Water SCHEMBL10930897 | 0.96 | HRH1 (0.77) | HRH1TDP1HRH2HTR2ADRD3 | |
| SCHEMBL10932667 | 0.96 | HRH1 (0.69) | HRH1TDP1HRH2HTR2ADRD3 | |
| SCHEMBL2058738 | 0.95 | HRH1 (0.79) | HRH1TDP1HRH2HTR2ADRD3 | |
| Efletirizine SCHEMBL5797969 | 0.93 | HRH1 (0.65) | HRH1TDP1HRH2HTR2ADRD3 | |
| Efletirizine SCHEMBL5794933 | 0.91 | HRH1 (0.65) | HRH1TDP1HRH2HTR2ADRD3 | |
| Efletirizine SCHEMBL5794985 | 0.88 | HRH1 (0.61) | HRH1TDP1HRH2HTR2ADRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1034171-A1 | PSEUDOPOLYMORPHIC FORMS OF 2-[2-[4-[BIS(4-FLUOROPHENYL)METHYL]-1-PIPERAZINYL]ETHOXY]ACETIC ACID DIHYDROCHLORIDE | UCB, S.A. (BE) | 2000-09-13 | — | — | EP | claimed |
| WO-1999028310-A1 | PSEUDOPOLYMORPHIC FORMS OF 2-[2-[4-[BIS (4-FLUOROPHENYL) METHYL]-1-PIPERAZINYL] ETHOXY]ACETIC ACID DIHYDROCHLORIDE | UCB, S.A. (BE) | 1999-06-10 | — | — | WO | claimed |
| EP-0919550-A1 | Pseudopolymorphic forms of 2-2-4-bis(4-fluorophenyl)methyl-1-piperazinyl-ethoxy acetic acid dihydrochloride | UCB, S.A. (BE) | 1999-06-02 | — | — | EP | claimed |