Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Zomepirac. 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 | 6/20 | 0.95 |
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.36 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Zomepirac SCHEMBL43061 | 0.99 | PTGS2 (0.97) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| Zomepirac SCHEMBL28350948 | 0.99 | PTGS2 (0.97) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| Zomepirac SCHEMBL9655800 | 0.99 | PTGS2 (0.97) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| Zomepirac SCHEMBL11495798 | 0.97 | PTGS2 (1.00) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| Zomepirac SCHEMBL25735 | 0.97 | PTGS2 (1.00) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| SCHEMBL10905829 | 0.86 | PTGS2 (0.80) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| SCHEMBL12608966 | 0.86 | PTGS2 (0.80) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| SCHEMBL6343780 | 0.86 | PTGS2 (0.80) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| Zomepirac SCHEMBL8830936 | 0.86 | PTGS2 (0.78) | PTGS2ABCB11CYP1A2LMNAALDH1A1 | |
| Zomepirac SCHEMBL1764295 | 0.86 | CYP1A2 (1.00) | PTGS2ABCB11CYP1A2LMNAALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6602861-B1 | Acylated phospholipid drugs | RESEARCH CORPORATION TECHNOLOGIES, INC. | 2003-08-05 | — | — | US | disclosed |
| US-5846955-A | Acylated phospholipid drugs | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1998-12-08 | — | — | US | disclosed |
| US-4585784-A | ANALGESIC, ANTIINFLAMMATORY | MCNEILAB, INC. (US) | 1986-04-29 | — | — | US | disclosed |
| EP-0115424-A1 | Pyrrole-2-acetylamino acid derivatives | McNeilab, Inc. (US) | 1984-08-08 | — | — | EP | disclosed |
| US-4255335-A | Preparation of 5-aroyl-1-loweralkylpyrrole-2-acetic acid derivatives | MCNEILAB, INC. (US) | 1981-03-10 | — | — | US | disclosed |