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 | 0.83 |
| ▸ | PTGS2 known ✓ | P35354 | 5/20 | 0.83 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.83 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.83 |
| ▸ | LMNA | P02545 | 2/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.83 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.83 |
| ▸ | ALB | P02768 | 1/20 | 0.83 |
| ▸ | ESR1 | P03372 | 1/20 | 0.83 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.83 |
| ▸ | RARB | P10826 | 1/20 | 0.83 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.83 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.83 |
| ▸ | HTR2A | P28223 | 1/20 | 0.83 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.83 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.83 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.83 |
| ▸ | TSHR | P16473 | 1/20 | 0.83 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.83 |
| ▸ | BLM | P54132 | 1/20 | 0.83 |
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 SCHEMBL9262087 | 0.93 | PTGS1 (0.71) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL15205827 | 0.92 | PTGS2 (0.76) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Palmitic Acid SCHEMBL7702151 | 0.91 | PTGS1 (0.69) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439559 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL3001 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL8754799 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL239446 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL17782137 | 0.91 | PTGS1 (0.69) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL8853210 | 0.91 | PTGS1 (0.69) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439560 | 0.91 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110623943-B | Medicine carrying application of flexible hollow mesoporous organic silicon oxide | 吉林大学第一医院 | 2022-03-01 | — | — | CN | disclosed |
| CN-110623943-A | Medicine carrying application of flexible hollow mesoporous organic silicon oxide | 吉林大学第一医院 | 2019-12-31 | — | — | CN | disclosed |
| CN-103143026-B | Block copolymer mPEG-PLGA/amorphous calcium silicate hydrate composite nano material as well as preparation method and application thereof | SHANGHAI INST CERAMICS | 2015-03-25 | — | — | CN | disclosed |
| CN-103110952-B | Microwave-assisted preparation method of hydroxylapatite nanometer structure porous microspheres | SHANGHAI INST CERAMICS | 2014-09-10 | — | — | CN | disclosed |
| CN-103920153-A | Chitosan-modified pH responsive medicine-loading controlled release material and preparation method thereof | SHANGHAI INST CERAMICS | 2014-07-16 | — | — | CN | disclosed |
| CN-102552913-B | Nano-structure calcium phosphate double-drug-carrying system and preparation method thereof | SHANGHAI INST CERAMICS | 2013-06-19 | — | — | CN | disclosed |
| CN-103143026-A | Block copolymer mPEG-PLGA/amorphous calcium silicate hydrate composite nano material as well as preparation method and application thereof | SHANGHAI INST CERAMICS | 2013-06-12 | — | — | CN | disclosed |
| CN-103110952-A | Microwave-assisted preparation method of hydroxylapatite nanometer structure porous microspheres | SHANGHAI INST CERAMICS | 2013-05-22 | — | — | CN | disclosed |
| CN-102552913-A | Nano-structure calcium phosphate double-drug-carrying system and preparation method thereof | SHANGHAI INST CERAMICS | 2012-07-11 | — | — | CN | disclosed |
| CN-101104861-B | Method for preparing S-ibuprofen and S-ibuprofen ester by biological catalysis | UNIV BEIJING CHEMICAL | 2012-01-18 | — | — | CN | disclosed |
| US-5300301-A | Dissolving in alkane or cycloalkane solvent, filtering, removing solvent | HOECHST CELANESE CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |