Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ibuprofen. 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 | 0.76 |
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.76 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.76 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.76 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.76 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.76 |
| ▸ | ALB | P02768 | 1/20 | 0.76 |
| ▸ | ESR1 | P03372 | 1/20 | 0.76 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.76 |
| ▸ | RARB | P10826 | 1/20 | 0.76 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.76 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.76 |
| ▸ | HTR2A | P28223 | 1/20 | 0.76 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.76 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.76 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL10385076 | 0.89 | PTGS2 (0.89) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| (R)-Ibuprophen SCHEMBL29057 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL3001 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Dexibuprofen SCHEMBL43531 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL19439560 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Dexibuprofen SCHEMBL30091137 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL19439559 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL239446 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL8754799 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL1651685 | 0.87 | PTGS1 (1.00) | PTGS2PTGS1AKR1C3LMNACYP2C9 |
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 17 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 |
| EP-1631260-A2 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | Transform Pharmaceuticals, Inc. (US) | 2006-03-08 | — | — | EP | 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 |
| WO-2004078163-A2 | 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) | 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 |
| WO-2008054609-A2 | DISSOLUTION AND PRECIPITATION OF COCRYSTALS WITH IONIZABLE COMPONENTS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2008-05-08 | — | — | WO | 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-1631260-A2 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | Transform Pharmaceuticals, Inc. (US) | 2006-03-08 | — | — | EP | 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 |
| EP-1494998-A2 | MULTIPLE-COMPONENT SOLID PHASES CONTAINING AT LEAST ONE ACTIVE PHARMACEUTICAL INGREDIENT | UNIVERSITY OF SOUTH FLORIDA (US) | 2005-01-12 | — | — | 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 |
| WO-2004078163-A2 | 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) | 2004-09-16 | — | — | WO | disclosed |
| WO-2003074474-A2 | MULTIPLE-COMPONENT SOLID PHASES CONTAINING AT LEAST ONE ACTIVE PHARMACEUTICAL INGREDIENT | UNIVERSITY OF SOUTH FLORIDA (US) | 2003-09-12 | — | — | WO | disclosed |