Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Cinnamic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 17/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6013384 | 0.94 | REN (0.43) | RENCTSSMETAP2METAP1 | |
| Cinnamic Acid SCHEMBL1648436 | 0.83 | REN (0.51) | REN | |
| SCHEMBL6013387 | 0.76 | REN (0.57) | REN | |
| SCHEMBL7318657 | 0.74 | METAP2 (0.40) | RENMETAP2METAP1 | |
| SCHEMBL7318663 | 0.74 | METAP2 (0.40) | RENMETAP2METAP1 | |
| Hydrochloric Acid SCHEMBL7354438 | 0.74 | METAP2 (0.40) | RENMETAP2METAP1 | |
| Water SCHEMBL10422512 | 0.71 | REN (0.52) | RENCTSS | |
| SCHEMBL10421591 | 0.71 | REN (0.56) | REN | |
| SCHEMBL7331453 | 0.71 | REN (0.51) | REN | |
| SCHEMBL10422508 | 0.70 | REN (0.52) | REN |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1608339-B8 | PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE | MCNEIL PPC INC (US) | 2012-04-25 | — | — | EP | claimed |
| US-20070026078-A1 | Pharmaceutical co-crystal compositions | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | US | claimed |
| EP-1608339-A1 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | Transform Pharmaceuticals, Inc. (US) | 2005-12-28 | — | — | EP | claimed |
| WO-2004078161-A1 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-16 | — | — | WO | claimed |
| EP-1608339-B8 | PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE | MCNEIL PPC INC (US) | 2012-04-25 | — | — | EP | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-20100311701-A1 | Pharmaceutical Co-Crystal Compositions | TRANSFORM PHARMACEUTICALS, INC (US) | 2010-12-09 | — | — | US | disclosed |
| US-20070059356-A1 | Pharmaceutical co-crystal compositions of drugs such as carbamazepine, celecoxib, olanzapine, itraconazole, topiramate, modafinil, 5-fluorouracil, hydrochlorothiazide, acetaminophen, aspirin, flurbiprofen, phenytoin and ibuprofen | REGENTS OF THE UNIVERSITY OF MICHIGAN, THE | 2007-03-15 | — | — | US | disclosed |
| US-20070026078-A1 | Pharmaceutical co-crystal compositions | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | US | disclosed |
| EP-1608339-A1 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | Transform Pharmaceuticals, Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004078161-A1 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-16 | — | — | WO | disclosed |