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 | 0.96 |
| ▸ | PTGS2 known ✓ | P35354 | 5/20 | 0.96 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.96 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.96 |
| ▸ | LMNA | P02545 | 2/20 | 0.96 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.96 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.96 |
| ▸ | ALB | P02768 | 1/20 | 0.96 |
| ▸ | ESR1 | P03372 | 1/20 | 0.96 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.96 |
| ▸ | RARB | P10826 | 1/20 | 0.96 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.96 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.96 |
| ▸ | HTR2A | P28223 | 1/20 | 0.96 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.96 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.96 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
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 SCHEMBL7037276 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| (R)-Ibuprophen SCHEMBL29057 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL43531 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL3001 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL239446 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439559 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL30091137 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439560 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL8754799 | 0.98 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL1651685 | 0.98 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060142181-A1 | Compound and method of treating neurogenic conditions using non-steroidal anti-inflammatory drug complexes | MILLER LANDON C | 2006-06-29 | — | — | US | disclosed |
| EP-0346006-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING IBUPROFEN-CYCLODEXTRIN COMPLEXES | RECKITT AND COLMAN PRODUCTS LIMITED (GB) | 1992-12-30 | — | — | EP | disclosed |
| US-5019563-A | Pharmaceutical composition | RECKITT & COLMAN PRODUCTS LIMITED (GB) | 1991-05-28 | — | — | US | disclosed |
| EP-0346006-A1 | Pharmaceutical compositions containing ibuprofen-cyclodextrin complexes | RECKITT AND COLMAN PRODUCTS LIMITED (GB) | 1989-12-13 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060142181-A1 | Compound and method of treating neurogenic conditions using non-steroidal anti-inflammatory drug complexes | VIP, GIPR, GRPR | PTGS1 125/4885PTGS2 301/4885CXCR1 1496/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.