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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.93 |
| ▸ | PTGS2 known ✓ | P35354 | 5/20 | 0.93 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.93 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.93 |
| ▸ | LMNA | P02545 | 2/20 | 0.93 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.93 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.93 |
| ▸ | ALB | P02768 | 1/20 | 0.93 |
| ▸ | ESR1 | P03372 | 1/20 | 0.93 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.93 |
| ▸ | RARB | P10826 | 1/20 | 0.93 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.93 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.93 |
| ▸ | HTR2A | P28223 | 1/20 | 0.93 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.93 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.93 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.93 |
| ▸ | TSHR | P16473 | 1/20 | 0.93 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.93 |
| ▸ | BLM | P54132 | 1/20 | 0.93 |
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 | |
|---|---|---|---|---|
| Ibuprofen SCHEMBL19732906 | 0.96 | PTGS1 (0.93) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL43531 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439559 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439560 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL239446 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| (R)-Ibuprophen SCHEMBL29057 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL30091137 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL3001 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL8754799 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL7037276 | 0.96 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100286079-A1 | COMPOSITION COMPRISING COVALENT CONJUGATES OF CHITOSAN AND AN ACIDIC DRUG AND PARENTERAL ADMINISTRATION | THE JORDANIAN PHARMACEUTICAL MANUFACTURING CO. (JO) | 2010-11-11 | — | — | US | disclosed |
| US-20100286080-A1 | AQUEOUS COMPOSITION COMPRISING CHITOSAN AND AN ACIDIC DRUG | THE JORDANIAN PHARMACEUTICAL MANUFACTURING CO. (JO) | 2010-11-11 | — | — | US | disclosed |
| EP-2203192-A1 | WOUND CARE FORMULATION | Northern Health And Social Care Trust (GB) | 2010-07-07 | — | — | EP | disclosed |
| US-20100093661-A1 | COMPOSITION COMPRISING CHITOSAN AND AN ACIDIC DRUG FOR ORAL CONTROLLED RELEASE | THE JORDANIAN PHARMACEUTICAL MANUFACTURING CO. (JO) | 2010-04-15 | — | — | US | disclosed |
| WO-2009037500-A1 | WOUND CARE FORMULATION | NORTHERN HEALTH AND SOCIAL CARE TRUST (GB) | 2009-03-26 | — | — | WO | disclosed |
| WO-2008095586-A2 | AQUEOUS COMPOSITION COMPRISING CHITOSAN AND AN ACIDIC DRUG | THE JORDANIAN PHARMACEUTICAL MANUFACTURING CO. (JO) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008095587-A1 | COMPOSITION COMPRISING COVALENT CONJUGATES OF CHITOSAN AND AN ACIDIC DRUG FOR PARENTERAL ADMINISTRATION | THE JORDANIAN PHARMACEUTICAL MANUFACTURING CO. (JO) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008095588-A1 | COMPOSITION COMPRISING CHITOSAN AND AN ACIDIC DRUG FOR ORAL CONTROLLED RELEASE | THE JORDANIAN PHARMACEUTICAL MANUFACTURING CO. (JO) | 2008-08-14 | — | — | WO | disclosed |
| EP-1955710-A1 | Aqueous composition comprising chitosan and an acidic drug | The Jordanian Pharmaceutical Manufacturing Co. (JO) | 2008-08-13 | — | — | EP | disclosed |
| EP-1955693-A1 | Composition comprising chitosan and an acidic drug for oral controlled release | The Jordanian Pharmaceutical Manufacturing Co. (JO) | 2008-08-13 | — | — | EP | disclosed |
| EP-1955711-A1 | Composition comprising covalent conjugates of chitosan and an acidic drug for parenteral administration | The Jordanian Pharmaceutical Manufacturing Co. (JO) | 2008-08-13 | — | — | EP | disclosed |
| EP-0906114-A2 | ANTIPSORIATIC COMPOSITIONS, METHOD OF MAKING, AND METHOD OF USING | Moady, Said (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997034568-A2 | ANTIPSORIATIC COMPOSITIONS, METHOD OF MAKING, AND METHOD OF USING | MOADY, SAID (US) | 1997-09-25 | — | — | WO | disclosed |